4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide

C59H59F9N6O6 — CID 161316864

IUPAC4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O2.C19H21F3N2O2.C18H19F3N2O2/c1-29-18-9-5-8-17(13-18)27-21(28)16-10-11-20(19(12-16)22(23,24)25)26-14-15-6-3-2-4-7-15;1-3-4-10-23-17-9-8-13(11-16(17)19(20,21)22)18(25)24-14-6-5-7-15(12-14)26-2;1-3-9-22-16-8-7-12(10-15(16)18(19,20)21)17(24)23-13-5-4-6-14(11-13)25-2/h2-13,26H,14H2,1H3,(H,27,28);5-9,11-12,23H,3-4,10H2,1-2H3,(H,24,25);4-8,10-11,22H,3,9H2,1-2H3,(H,23,24)
InChIKeyVJPNKKCWVDQLIW-UHFFFAOYSA-N
MW1119.14 g/mol
LogP15.54
Rot. Bonds19

About 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide

4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide (PubChem CID 161316864) has the molecular formula C59H59F9N6O6 and a molecular weight of 1119.14 g/mol. Its IUPAC name is 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide
PubChem CID161316864
Molecular FormulaC59H59F9N6O6
Molecular Weight1119.14 g/mol
Exact Mass1118.44
IUPAC Name4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O2.C19H21F3N2O2.C18H19F3N2O2/c1-29-18-9-5-8-17(13-18)27-21(28)16-10-11-20(19(12-16)22(23,24)25)26-14-15-6-3-2-4-7-15;1-3-4-10-23-17-9-8-13(11-16(17)19(20,21)22)18(25)24-14-6-5-7-15(12-14)26-2;1-3-9-22-16-8-7-12(10-15(16)18(19,20)21)17(24)23-13-5-4-6-14(11-13)25-2/h2-13,26H,14H2,1H3,(H,27,28);5-9,11-12,23H,3-4,10H2,1-2H3,(H,24,25);4-8,10-11,22H,3,9H2,1-2H3,(H,23,24)
InChIKeyVJPNKKCWVDQLIW-UHFFFAOYSA-N
XLogP15.54
TPSA151.08 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.14
LogP ≤ 515.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

Epptb
CID 25175634
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
3-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-4-[3-(3-methoxy-phenyl)-ureido]-benzoic acid methyl ester
CID 10983980
N-[3-(4-Dimethylaminomethyl-phenylcarbamoyl)-benzyl]-4-methoxy-3-trifluoromethyl-benzamide
CID 25054309
N-(3-methoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175463
N-(3-isopropoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175780
N-(3-(difluoromethoxy)phenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175786
4-(pyrrolidin-1-yl)-N-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(trifluoromethyl)benzamide
CID 25175933
4-(pyrrolidin-1-yl)-N-(3-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)benzamide
CID 53319590
N-(3-phenoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 53319591
N~1~,N~3~-bis(3-butoxyphenyl)isophthalamide
CID 4014602
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-[(4-phenylbenzoyl)amino]benzamide
CID 44394946

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide?
The IUPAC name of 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) is 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide is CCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F.COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide?
The InChIKey is VJPNKKCWVDQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2.C19H21F3N2O2.C18H19F3N2O2/c1-29-18-9-5-8-17(13-18)27-21(28)16-10-11-20(19(12-16)22(23,24)25)26-14-15-6-3-2-4-7-15;1-3-4-10-23-17-9-8-13(11-16(17)19(20,21)22)18(25)24-14-6-5-7-15(12-14)26-2;1-3-9-22-16-8-7-12(10-15(16)18(19,20)21)17(24)23-13-5-4-6-14(11-13)25-2/h2-13,26H,14H2,1H3,(H,27,28);5-9,11-12,23H,3-4,10H2,1-2H3,(H,24,25);4-8,10-11,22H,3,9H2,1-2H3,(H,23,24).
What are the key properties of 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide?
4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide has a molecular weight of 1119.14 g/mol, XLogP of 15.54, 19 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;4-(butylamino)-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-(propylamino)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161316864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).