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

C23H21N3O2 — CID 124657330

IUPACN-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESNc1ccccc1CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H21N3O2/c24-20-14-8-7-13-19(20)16-25-23(28)21(15-17-9-3-1-4-10-17)26-22(27)18-11-5-2-6-12-18/h1-15H,16,24H2,(H,25,28)(H,26,27)/b21-15+
InChIKeyMRBDJYUQVIJUBA-RCCKNPSSSA-N
MW371.44 g/mol
LogP3.36
Rot. Bonds6

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

N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 124657330) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID124657330
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESNc1ccccc1CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H21N3O2/c24-20-14-8-7-13-19(20)16-25-23(28)21(15-17-9-3-1-4-10-17)26-22(27)18-11-5-2-6-12-18/h1-15H,16,24H2,(H,25,28)(H,26,27)/b21-15+
InChIKeyMRBDJYUQVIJUBA-RCCKNPSSSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.36
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]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 124657321
N-[(Z)-3-[(2-aminophenyl)methylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19057687
N-[(2E,4E)-1-[(2-aminophenyl)methylamino]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 124657436
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzamide
CID 124657293
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 19057688
N-[(Z)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 124657322
N-[(Z)-3-[(2-aminophenyl)methylamino]-1-(5-bromo-2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19057689
N-[(Z)-3-[(2-aminophenyl)methylamino]-1-(2-chloro-6-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19057770
2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
CID 13436685
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 13185213
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 124657330) is N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is Nc1ccccc1CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is MRBDJYUQVIJUBA-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-20-14-8-7-13-19(20)16-25-23(28)21(15-17-9-3-1-4-10-17)26-22(27)18-11-5-2-6-12-18/h1-15H,16,24H2,(H,25,28)(H,26,27)/b21-15+.
What are the key properties of N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 124657330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).