N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide

C21H22ClF3N2O — CID 59186865

IUPACN-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H22ClF3N2O/c22-19-11-8-15(21(23,24)25)12-18(19)20(28)27-17-9-6-14(7-10-17)13-26-16-4-2-1-3-5-16/h1-5,8,11-12,14,17,26H,6-7,9-10,13H2,(H,27,28)
InChIKeyLYGMVXMHRDGOJK-UHFFFAOYSA-N
MW410.87 g/mol
LogP5.76
Rot. Bonds5

About N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide

N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide (PubChem CID 59186865) has the molecular formula C21H22ClF3N2O and a molecular weight of 410.87 g/mol. Its IUPAC name is N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
PubChem CID59186865
Molecular FormulaC21H22ClF3N2O
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC NameN-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H22ClF3N2O/c22-19-11-8-15(21(23,24)25)12-18(19)20(28)27-17-9-6-14(7-10-17)13-26-16-4-2-1-3-5-16/h1-5,8,11-12,14,17,26H,6-7,9-10,13H2,(H,27,28)
InChIKeyLYGMVXMHRDGOJK-UHFFFAOYSA-N
XLogP5.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)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

2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[[[5-chloro-6-(trideuteriomethyl)-3-pyridinyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317272
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44814945
2-chloro-N-[4-[[3-ethenyl-4-(methylideneamino)anilino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 143937083
2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815946
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857
2-chloro-N-[4-[[(3-propyl-2H-pyrrol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317406

Frequently Asked Questions

What is the IUPAC name of N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide (CID 59186865) is N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide is O=C(NC1CCC(CNc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide?
The InChIKey is LYGMVXMHRDGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O/c22-19-11-8-15(21(23,24)25)12-18(19)20(28)27-17-9-6-14(7-10-17)13-26-16-4-2-1-3-5-16/h1-5,8,11-12,14,17,26H,6-7,9-10,13H2,(H,27,28).
What are the key properties of N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide?
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide has a molecular weight of 410.87 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59186865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).