[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate

C20H12Cl3NO3 — CID 86575054

IUPAC[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate
SMILESO=C(Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H12Cl3NO3/c21-13-6-8-15(19(25)24-14-7-9-16(22)17(23)11-14)18(10-13)27-20(26)12-4-2-1-3-5-12/h1-11H,(H,24,25)
InChIKeyAZGYMUUOXLICMZ-UHFFFAOYSA-N
MW420.68 g/mol
LogP6.12
Rot. Bonds4

About [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate

[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate (PubChem CID 86575054) has the molecular formula C20H12Cl3NO3 and a molecular weight of 420.68 g/mol. Its IUPAC name is [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate.

Molecular Properties

Compound Name[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate
PubChem CID86575054
Molecular FormulaC20H12Cl3NO3
Molecular Weight420.68 g/mol
Exact Mass418.99
IUPAC Name[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate
SMILESO=C(Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H12Cl3NO3/c21-13-6-8-15(19(25)24-14-7-9-16(22)17(23)11-14)18(10-13)27-20(26)12-4-2-1-3-5-12/h1-11H,(H,24,25)
InChIKeyAZGYMUUOXLICMZ-UHFFFAOYSA-N
XLogP6.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 56.12
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

[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] (2S)-2-acetamido-3-phenylpropanoate
CID 50907950
[5-bromo-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] benzoate
CID 86576946
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
CID 67213098
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 82880967
[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl] pyrazine-2-carboxylate
CID 86577015
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate?
The IUPAC name of [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate (CID 86575054) is [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate.
What is the SMILES notation for [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate?
The canonical SMILES for [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate is O=C(Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate?
The InChIKey is AZGYMUUOXLICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3NO3/c21-13-6-8-15(19(25)24-14-7-9-16(22)17(23)11-14)18(10-13)27-20(26)12-4-2-1-3-5-12/h1-11H,(H,24,25).
What are the key properties of [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate?
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate has a molecular weight of 420.68 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate is sourced from PubChem (CID 86575054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).