2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate

C18H16ClNO3 — CID 46678719

IUPAC2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
SMILESC=C(Cl)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H16ClNO3/c1-13(19)12-23-18(22)15-9-5-6-10-16(15)20-17(21)11-14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,20,21)
InChIKeyVHKTWHUBWUHPRS-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.78
Rot. Bonds6

About 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate

2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 46678719) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
PubChem CID46678719
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
SMILESC=C(Cl)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H16ClNO3/c1-13(19)12-23-18(22)15-9-5-6-10-16(15)20-17(21)11-14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,20,21)
InChIKeyVHKTWHUBWUHPRS-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46793438
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 28593747
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30684694
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 42892334
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 8849849
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30475432
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 26003953

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate (CID 46678719) is 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate is C=C(Cl)COC(=O)c1ccccc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is VHKTWHUBWUHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-13(19)12-23-18(22)15-9-5-6-10-16(15)20-17(21)11-14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,20,21).
What are the key properties of 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate?
2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 329.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 46678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).