N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide

C25H22ClN3O2 — CID 68769130

IUPACN-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C(\C(=O)NC2CC2)c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-21-6-2-1-5-19(21)20(25(31)28-18-13-14-18)15-16-9-11-17(12-10-16)24(30)29-23-8-4-3-7-22(23)27/h1-12,15,18H,13-14,27H2,(H,28,31)(H,29,30)/b20-15-
InChIKeyNUZKATLWHLQXRH-HKWRFOASSA-N
MW431.92 g/mol
LogP4.99
Rot. Bonds6

About N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide

N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 68769130) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide
PubChem CID68769130
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C(\C(=O)NC2CC2)c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-21-6-2-1-5-19(21)20(25(31)28-18-13-14-18)15-16-9-11-17(12-10-16)24(30)29-23-8-4-3-7-22(23)27/h1-12,15,18H,13-14,27H2,(H,28,31)(H,29,30)/b20-15-
InChIKeyNUZKATLWHLQXRH-HKWRFOASSA-N
XLogP4.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2-chlorobenzamide
CID 684680
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
(E)-3-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-2-(3H-1,2-benzodioxol-5-yl)-N-cyclopropylprop-2-enamide
CID 87568141
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide (CID 68769130) is N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide is Nc1ccccc1NC(=O)c1ccc(/C=C(\C(=O)NC2CC2)c2ccccc2Cl)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is NUZKATLWHLQXRH-HKWRFOASSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-21-6-2-1-5-19(21)20(25(31)28-18-13-14-18)15-16-9-11-17(12-10-16)24(30)29-23-8-4-3-7-22(23)27/h1-12,15,18H,13-14,27H2,(H,28,31)(H,29,30)/b20-15-.
What are the key properties of N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide?
N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 68769130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).