[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate

C28H22ClNO3 — CID 19181459

IUPAC[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C28H22ClNO3/c29-23-14-16-24(17-15-23)30-27(31)22-12-18-25(19-13-22)33-28(32)26-9-5-4-8-21(26)11-10-20-6-2-1-3-7-20/h1-9,12-19H,10-11H2,(H,30,31)
InChIKeyJHKORQQLZFKQRN-UHFFFAOYSA-N
MW455.94 g/mol
LogP6.60
Rot. Bonds7

About [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate

[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate (PubChem CID 19181459) has the molecular formula C28H22ClNO3 and a molecular weight of 455.94 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
PubChem CID19181459
Molecular FormulaC28H22ClNO3
Molecular Weight455.94 g/mol
Exact Mass455.13
IUPAC Name[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C28H22ClNO3/c29-23-14-16-24(17-15-23)30-27(31)22-12-18-25(19-13-22)33-28(32)26-9-5-4-8-21(26)11-10-20-6-2-1-3-7-20/h1-9,12-19H,10-11H2,(H,30,31)
InChIKeyJHKORQQLZFKQRN-UHFFFAOYSA-N
XLogP6.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.94
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 22684313
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 52741879
propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
CID 1183511
(4-benzamidophenyl) benzoate
CID 569583
2-[3-[(4-chlorobenzoyl)amino]phenoxy]carbonylbenzoic acid
CID 23904668
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate (CID 19181459) is [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate is O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate?
The InChIKey is JHKORQQLZFKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClNO3/c29-23-14-16-24(17-15-23)30-27(31)22-12-18-25(19-13-22)33-28(32)26-9-5-4-8-21(26)11-10-20-6-2-1-3-7-20/h1-9,12-19H,10-11H2,(H,30,31).
What are the key properties of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate?
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate has a molecular weight of 455.94 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 19181459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).