[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate

C20H13Cl2NO3 — CID 1375607

IUPAC[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate
SMILESO=C(Nc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24)
InChIKeyKDSBZHUJTOUSRK-UHFFFAOYSA-N
MW386.23 g/mol
LogP5.46
Rot. Bonds4

About [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate

[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate (PubChem CID 1375607) has the molecular formula C20H13Cl2NO3 and a molecular weight of 386.23 g/mol. Its IUPAC name is [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate
PubChem CID1375607
Molecular FormulaC20H13Cl2NO3
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate
SMILESO=C(Nc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24)
InChIKeyKDSBZHUJTOUSRK-UHFFFAOYSA-N
XLogP5.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 55.46
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

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N-(5-Chloro-2-methoxyphenyl)-2-methylbenzamide
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4-Chloro-N-(4-methoxyphenyl)benzamide
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(2-Benzamidophenyl) benzoate
CID 226518
Clamidoxic Acid
CID 22554
4-Chloro-4'-ethoxybenzanilide
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2-[(Benzenecarbonyl)amino]-3-[(4-Chlorophenyl)methoxy]benzoic Acid
CID 69586321
4-(Anilinocarbonyl)phenyl benzoate
CID 689937
N-(5-acetamido-2-methoxyphenyl)-4-chlorobenzamide
CID 2579845
(4-Chlorophenyl)(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)methanone
CID 3457106
N-(2-methoxyphenyl)-2-phenoxybenzamide
CID 3699930

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate?
The IUPAC name of [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate (CID 1375607) is [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate?
The canonical SMILES for [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate is O=C(Nc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate?
The InChIKey is KDSBZHUJTOUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24).
What are the key properties of [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate?
[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate has a molecular weight of 386.23 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 1375607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).