(N-benzoyl-3-chloroanilino) acetate

C15H12ClNO3 — CID 132609379

IUPAC(N-benzoyl-3-chloroanilino) acetate
SMILESCC(=O)ON(C(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-11(18)20-17(14-9-5-8-13(16)10-14)15(19)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyGBTROPGTHNMOJL-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.46
Rot. Bonds2

About (N-benzoyl-3-chloroanilino) acetate

(N-benzoyl-3-chloroanilino) acetate (PubChem CID 132609379) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (N-benzoyl-3-chloroanilino) acetate.

Molecular Properties

Compound Name(N-benzoyl-3-chloroanilino) acetate
PubChem CID132609379
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(N-benzoyl-3-chloroanilino) acetate
SMILESCC(=O)ON(C(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-11(18)20-17(14-9-5-8-13(16)10-14)15(19)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyGBTROPGTHNMOJL-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(N-(3-nitrobenzoyl)anilino) acetate
CID 132609377
(N-benzoylanilino) 2,4,6-trichlorobenzoate
CID 59855646
3-chloro-N-hydroxy-N-phenylbenzamide
CID 73332862
(N-benzoylanilino) 3-oxobutanoate
CID 71384277
(N-(3-chlorophenyl)-4-methoxyanilino) acetate
CID 175350374
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
CID 35182283
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
ethyl (E)-2-(3-chloro-N-methylanilino)-3-hydroxy-3-phenylprop-2-enoate
CID 54749765
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121
[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate
CID 53240791
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432

Frequently Asked Questions

What is the IUPAC name of (N-benzoyl-3-chloroanilino) acetate?
The IUPAC name of (N-benzoyl-3-chloroanilino) acetate (CID 132609379) is (N-benzoyl-3-chloroanilino) acetate.
What is the SMILES notation for (N-benzoyl-3-chloroanilino) acetate?
The canonical SMILES for (N-benzoyl-3-chloroanilino) acetate is CC(=O)ON(C(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (N-benzoyl-3-chloroanilino) acetate?
The InChIKey is GBTROPGTHNMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-11(18)20-17(14-9-5-8-13(16)10-14)15(19)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of (N-benzoyl-3-chloroanilino) acetate?
(N-benzoyl-3-chloroanilino) acetate has a molecular weight of 289.72 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-benzoyl-3-chloroanilino) acetate is sourced from PubChem (CID 132609379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).