2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate

C18H16ClNO3 — CID 46678769

IUPAC2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESC=C(Cl)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H16ClNO3/c1-12-6-5-7-14(10-12)17(21)20-16-9-4-3-8-15(16)18(22)23-11-13(2)19/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeySKLFQXNRWJWCLS-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.16
Rot. Bonds5

About 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate

2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 46678769) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID46678769
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESC=C(Cl)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H16ClNO3/c1-12-6-5-7-14(10-12)17(21)20-16-9-4-3-8-15(16)18(22)23-11-13(2)19/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeySKLFQXNRWJWCLS-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 27354846
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2606152
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42981396
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2415194
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 55357677
2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
CID 46678719

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate (CID 46678769) is 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate is C=C(Cl)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1.
What is the InChIKey of 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is SKLFQXNRWJWCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-12-6-5-7-14(10-12)17(21)20-16-9-4-3-8-15(16)18(22)23-11-13(2)19/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate?
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 329.78 g/mol, XLogP of 4.16, 5 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-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 46678769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).