[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate

C15H11Cl2NO3 — CID 35214415

IUPAC[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO3/c1-9(19)21-14-7-4-11(17)8-13(14)15(20)18-12-5-2-10(16)3-6-12/h2-8H,1H3,(H,18,20)
InChIKeyPCTAIYGYZOMRRT-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.17
Rot. Bonds3

About [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate

[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate (PubChem CID 35214415) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
PubChem CID35214415
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO3/c1-9(19)21-14-7-4-11(17)8-13(14)15(20)18-12-5-2-10(16)3-6-12/h2-8H,1H3,(H,18,20)
InChIKeyPCTAIYGYZOMRRT-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
CID 118707131
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231907
[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
CID 129292859
5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
CID 121416150
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
[2-tert-butyl-4-[(2,4-dichlorobenzoyl)amino]phenyl] acetate
CID 122188993
[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-chlorophenyl] acetate
CID 53309837
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate (CID 35214415) is [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate?
The InChIKey is PCTAIYGYZOMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-9(19)21-14-7-4-11(17)8-13(14)15(20)18-12-5-2-10(16)3-6-12/h2-8H,1H3,(H,18,20).
What are the key properties of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate?
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate has a molecular weight of 324.16 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 35214415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).