4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

C20H19ClN2O2 — CID 35504342

IUPAC4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c21-18-4-2-1-3-16(18)13-22-19(24)12-7-14-5-8-15(9-6-14)20(25)23-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,22,24)(H,23,25)/b12-7+
InChIKeyMNXBSGITHHQRIE-KPKJPENVSA-N
MW354.84 g/mol
LogP3.56
Rot. Bonds6

About 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (PubChem CID 35504342) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
PubChem CID35504342
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c21-18-4-2-1-3-16(18)13-22-19(24)12-7-14-5-8-15(9-6-14)20(25)23-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,22,24)(H,23,25)/b12-7+
InChIKeyMNXBSGITHHQRIE-KPKJPENVSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(E)-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 35561461
N-cyclopropyl-4-[(E)-3-oxo-3-[[4-(phenylmethoxymethyl)phenyl]methylamino]prop-1-enyl]benzamide
CID 55697987
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 46649997
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]prop-1-enyl]benzamide
CID 92851724
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
CID 33077788
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 55907831
4-[(E)-3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 86968616
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (CID 35504342) is 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCc1ccccc1Cl.
What is the InChIKey of 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The InChIKey is MNXBSGITHHQRIE-KPKJPENVSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-18-4-2-1-3-16(18)13-22-19(24)12-7-14-5-8-15(9-6-14)20(25)23-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,22,24)(H,23,25)/b12-7+.
What are the key properties of 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide has a molecular weight of 354.84 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 35504342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).