[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate

C20H15ClN2O3 — CID 155294828

IUPAC[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-6-8-16(9-7-15)22-20(25)23-17-10-12-18(13-11-17)26-19(24)14-4-2-1-3-5-14/h1-13H,(H2,22,23,25)
InChIKeyXZOCXPSZLAPYPO-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.20
Rot. Bonds4

About [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate

[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate (PubChem CID 155294828) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
PubChem CID155294828
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-6-8-16(9-7-15)22-20(25)23-17-10-12-18(13-11-17)26-19(24)14-4-2-1-3-5-14/h1-13H,(H2,22,23,25)
InChIKeyXZOCXPSZLAPYPO-UHFFFAOYSA-N
XLogP5.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
(4-benzamidophenyl) benzoate
CID 569583
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate (CID 155294828) is [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate is O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate?
The InChIKey is XZOCXPSZLAPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-6-8-16(9-7-15)22-20(25)23-17-10-12-18(13-11-17)26-19(24)14-4-2-1-3-5-14/h1-13H,(H2,22,23,25).
What are the key properties of [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate?
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate has a molecular weight of 366.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate is sourced from PubChem (CID 155294828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).