2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide

C25H21ClN2O2 — CID 126135724

IUPAC2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H21ClN2O2/c1-2-16-27-24(29)20-13-7-9-15-23(20)28-25(30)21(18-10-4-3-5-11-18)17-19-12-6-8-14-22(19)26/h2-15,17H,1,16H2,(H,27,29)(H,28,30)/b21-17+
InChIKeyGLXQKXNYRCRMQE-HEHNFIMWSA-N
MW416.91 g/mol
LogP5.44
Rot. Bonds7

About 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide

2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 126135724) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
PubChem CID126135724
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H21ClN2O2/c1-2-16-27-24(29)20-13-7-9-15-23(20)28-25(30)21(18-10-4-3-5-11-18)17-19-12-6-8-14-22(19)26/h2-15,17H,1,16H2,(H,27,29)(H,28,30)/b21-17+
InChIKeyGLXQKXNYRCRMQE-HEHNFIMWSA-N
XLogP5.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
CID 2197329
2-(3-phenylprop-2-enoylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932681
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
2-(prop-2-enylcarbamothioylamino)benzoic acid
CID 71353597

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide (CID 126135724) is 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is GLXQKXNYRCRMQE-HEHNFIMWSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-2-16-27-24(29)20-13-7-9-15-23(20)28-25(30)21(18-10-4-3-5-11-18)17-19-12-6-8-14-22(19)26/h2-15,17H,1,16H2,(H,27,29)(H,28,30)/b21-17+.
What are the key properties of 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 416.91 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 126135724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).