2-(2-benzoyl-4-chloroanilino)acetate

C15H11ClNO3- — CID 4162627

IUPAC2-(2-benzoyl-4-chloroanilino)acetate
SMILESO=C([O-])CNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO3/c16-11-6-7-13(17-9-14(18)19)12(8-11)15(20)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)/p-1
InChIKeyBJKHPKAVRGJPHJ-UHFFFAOYSA-M
MW288.71 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-benzoyl-4-chloroanilino)acetate

2-(2-benzoyl-4-chloroanilino)acetate (PubChem CID 4162627) has the molecular formula C15H11ClNO3- and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-(2-benzoyl-4-chloroanilino)acetate.

Molecular Properties

Compound Name2-(2-benzoyl-4-chloroanilino)acetate
PubChem CID4162627
Molecular FormulaC15H11ClNO3-
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name2-(2-benzoyl-4-chloroanilino)acetate
SMILESO=C([O-])CNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO3/c16-11-6-7-13(17-9-14(18)19)12(8-11)15(20)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)/p-1
InChIKeyBJKHPKAVRGJPHJ-UHFFFAOYSA-M
XLogP1.73
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
CID 21152776
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
CID 162143161
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2426723
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
sodium 2-(2-carboxy-5-chloroanilino)acetate
CID 66684909
[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-4-chloroanilino)acetate?
The IUPAC name of 2-(2-benzoyl-4-chloroanilino)acetate (CID 4162627) is 2-(2-benzoyl-4-chloroanilino)acetate.
What is the SMILES notation for 2-(2-benzoyl-4-chloroanilino)acetate?
The canonical SMILES for 2-(2-benzoyl-4-chloroanilino)acetate is O=C([O-])CNc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoyl-4-chloroanilino)acetate?
The InChIKey is BJKHPKAVRGJPHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12ClNO3/c16-11-6-7-13(17-9-14(18)19)12(8-11)15(20)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)/p-1.
What are the key properties of 2-(2-benzoyl-4-chloroanilino)acetate?
2-(2-benzoyl-4-chloroanilino)acetate has a molecular weight of 288.71 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-chloroanilino)acetate is sourced from PubChem (CID 4162627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).