N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide

C124H144ClF5N14O9 — CID 159369978

IUPACN-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.COc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cc(NC(=O)c2ccc(C)c(NC(C)C)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1NC(C)C.Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(C)C.Cc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cccc(NC(=O)c2ccc(F)c(NC(C)C)c2)c1
InChIInChI=1S/C19H21F3N2O.2C18H22N2O2.C18H22N2O.C17H19ClN2O.2C17H19FN2O/c1-11(2)23-17-9-14(6-5-13(17)4)18(25)24-16-8-12(3)7-15(10-16)19(20,21)22;2*1-12(2)19-17-10-14(9-8-13(17)3)18(21)20-15-6-5-7-16(11-15)22-4;1-12(2)19-17-11-15(9-8-14(17)4)18(21)20-16-7-5-6-13(3)10-16;2*1-11(2)19-16-9-13(8-7-12(16)3)17(21)20-15-6-4-5-14(18)10-15;1-11(2)19-16-10-13(7-8-15(16)18)17(21)20-14-6-4-5-12(3)9-14/h5-11,23H,1-4H3,(H,24,25);2*5-12,19H,1-4H3,(H,20,21);5-12,19H,1-4H3,(H,20,21);3*4-11,19H,1-3H3,(H,20,21)
InChIKeyLJPPITUXGPSUPB-UHFFFAOYSA-N
MW2105.05 g/mol
LogP31.06
Rot. Bonds30

About N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide

N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide (PubChem CID 159369978) has the molecular formula C124H144ClF5N14O9 and a molecular weight of 2105.05 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide
PubChem CID159369978
Molecular FormulaC124H144ClF5N14O9
Molecular Weight2105.05 g/mol
Exact Mass2103.08
IUPAC NameN-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.COc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cc(NC(=O)c2ccc(C)c(NC(C)C)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1NC(C)C.Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(C)C.Cc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cccc(NC(=O)c2ccc(F)c(NC(C)C)c2)c1
InChIInChI=1S/C19H21F3N2O.2C18H22N2O2.C18H22N2O.C17H19ClN2O.2C17H19FN2O/c1-11(2)23-17-9-14(6-5-13(17)4)18(25)24-16-8-12(3)7-15(10-16)19(20,21)22;2*1-12(2)19-17-10-14(9-8-13(17)3)18(21)20-15-6-5-7-16(11-15)22-4;1-12(2)19-17-11-15(9-8-14(17)4)18(21)20-16-7-5-6-13(3)10-16;2*1-11(2)19-16-9-13(8-7-12(16)3)17(21)20-15-6-4-5-14(18)10-15;1-11(2)19-16-10-13(7-8-15(16)18)17(21)20-14-6-4-5-12(3)9-14/h5-11,23H,1-4H3,(H,24,25);2*5-12,19H,1-4H3,(H,20,21);5-12,19H,1-4H3,(H,20,21);3*4-11,19H,1-3H3,(H,20,21)
InChIKeyLJPPITUXGPSUPB-UHFFFAOYSA-N
XLogP31.06
TPSA306.37 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002105.05
LogP ≤ 531.06
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)-5-(3-methoxyanilino)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 54506893
N-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(1,1-diphenylethyl)amino]propoxy]phenyl]benzamide
CID 69414145
4-chloro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;3,4-dichloro-N-(3-chlorophenyl)benzamide;3,4-dichloro-N-phenylbenzamide
CID 87550708
N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 157999400
4-(ethylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propan-2-ylamino)-3-(trifluoromethyl)benzamide
CID 159495252
3-[[4-[2-(4-Tert-butylcyclohexyl)-3-(3-chloro-4-methylanilino)-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-[3-methoxy-5-(trifluoromethyl)anilino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-[3-methoxy-5-(trifluoromethyl)anilino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-[3-methyl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzoyl]amino]propanoic acid
CID 160305942
N-benzoyl-N-propan-2-ylbenzamide;tert-butyl N-propan-2-ylcarbamate;3,5-dichloro-N-propan-2-ylaniline;N,N-dimethylpropan-2-amine;4-fluoro-N-(4-fluorobenzoyl)-N-propan-2-ylbenzamide;2-fluoro-N-propan-2-ylaniline;3-fluoro-N-propan-2-ylaniline;4-fluoro-N-propan-2-ylaniline;3-methoxy-N-propan-2-ylaniline;2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate;4-methyl-N-(4-methylbenzoyl)-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylpropan-2-amine;N-phenyl-N-propan-2-ylaniline;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylcyclohexanamine;N-propan-2-yl-3-(trifluoromethyl)aniline;prop-2-ynyl N-propan-2-ylcarbamate
CID 160533154
1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen
CID 160696259
4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 161316864
3-[[4-[2-[4-(Cyclohexen-1-yl)phenyl]-3-(3,4-dichloroanilino)-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]benzoyl]amino]propanoic acid
CID 161677633
3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide
CID 162238227
N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603990

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide (CID 159369978) is N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide is COc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.COc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cc(NC(=O)c2ccc(C)c(NC(C)C)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1NC(C)C.Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(C)C.Cc1cccc(NC(=O)c2ccc(C)c(NC(C)C)c2)c1.Cc1cccc(NC(=O)c2ccc(F)c(NC(C)C)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide?
The InChIKey is LJPPITUXGPSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O.2C18H22N2O2.C18H22N2O.C17H19ClN2O.2C17H19FN2O/c1-11(2)23-17-9-14(6-5-13(17)4)18(25)24-16-8-12(3)7-15(10-16)19(20,21)22;2*1-12(2)19-17-10-14(9-8-13(17)3)18(21)20-15-6-5-7-16(11-15)22-4;1-12(2)19-17-11-15(9-8-14(17)4)18(21)20-16-7-5-6-13(3)10-16;2*1-11(2)19-16-9-13(8-7-12(16)3)17(21)20-15-6-4-5-14(18)10-15;1-11(2)19-16-10-13(7-8-15(16)18)17(21)20-14-6-4-5-12(3)9-14/h5-11,23H,1-4H3,(H,24,25);2*5-12,19H,1-4H3,(H,20,21);5-12,19H,1-4H3,(H,20,21);3*4-11,19H,1-3H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide?
N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide has a molecular weight of 2105.05 g/mol, XLogP of 31.06, 30 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 159369978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).