N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C30H28FN3O3 — CID 143788229

IUPACN-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1.Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H14FNO2.C14H14N2O/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12;1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-10H,1H3,(H2,18,19);2-9H,15H2,1H3,(H,16,17)/b15-10+;
InChIKeyGVCFFCVVDKUOEZ-GYVLLFFHSA-N
MW497.57 g/mol
LogP5.69
Rot. Bonds6

About N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 143788229) has the molecular formula C30H28FN3O3 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID143788229
Molecular FormulaC30H28FN3O3
Molecular Weight497.57 g/mol
Exact Mass497.21
IUPAC NameN-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1.Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H14FNO2.C14H14N2O/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12;1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-10H,1H3,(H2,18,19);2-9H,15H2,1H3,(H,16,17)/b15-10+;
InChIKeyGVCFFCVVDKUOEZ-GYVLLFFHSA-N
XLogP5.69
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-methylbenzamide;(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788196
(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788230
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(2-aminophenyl)-4-[[[(E)-2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzamide
CID 25265023
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-(2-aminophenyl)-4-[(Z)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
CID 68769109
N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
CID 59575560
methyl 4-[(E)-3-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]-2-(2-fluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 25265171
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 143788229) is N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1.Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is GVCFFCVVDKUOEZ-GYVLLFFHSA-N. The full InChI is InChI=1S/C16H14FNO2.C14H14N2O/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12;1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-10H,1H3,(H2,18,19);2-9H,15H2,1H3,(H,16,17)/b15-10+;.
What are the key properties of N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 497.57 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 143788229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).