N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C22H19N3O2 — CID 13185213

IUPACN-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESNc1ccccc1NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c23-18-13-7-8-14-19(18)24-22(27)20(15-16-9-3-1-4-10-16)25-21(26)17-11-5-2-6-12-17/h1-15H,23H2,(H,24,27)(H,25,26)/b20-15+
InChIKeyMGFGEFFZVMMROT-HMMYKYKNSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds5

About N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 13185213) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID13185213
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESNc1ccccc1NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c23-18-13-7-8-14-19(18)24-22(27)20(15-16-9-3-1-4-10-16)25-21(26)17-11-5-2-6-12-17/h1-15H,23H2,(H,24,27)(H,25,26)/b20-15+
InChIKeyMGFGEFFZVMMROT-HMMYKYKNSA-N
XLogP3.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
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'}

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Related Compounds

N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 124657330
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285
4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6147985
N-[(Z)-3-(4-chloroanilino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6511350
N-[(Z)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5443009
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413
N-[1-(4-methylphenyl)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-en-2-yl]benzamide
CID 91969774
N-[1-[4-(dimethylamino)phenyl]-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 2840797
2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
CID 13436685
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[(Z)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831494
N-[(Z)-3-(4-methylsulfanylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 22783738

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 13185213) is N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is Nc1ccccc1NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is MGFGEFFZVMMROT-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-18-13-7-8-14-19(18)24-22(27)20(15-16-9-3-1-4-10-16)25-21(26)17-11-5-2-6-12-17/h1-15H,23H2,(H,24,27)(H,25,26)/b20-15+.
What are the key properties of N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 13185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).