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

C21H16ClNO3 — CID 8917316

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO3/c1-14-6-8-15(9-7-14)21(25)26-17-12-10-16(11-13-17)23-20(24)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,24)
InChIKeyPIOPUZXDFRDYGJ-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.12
Rot. Bonds4

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

[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate (PubChem CID 8917316) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
PubChem CID8917316
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO3/c1-14-6-8-15(9-7-14)21(25)26-17-12-10-16(11-13-17)23-20(24)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,24)
InChIKeyPIOPUZXDFRDYGJ-UHFFFAOYSA-N
XLogP5.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.12
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

(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
[4-[(2-chlorobenzoyl)amino]phenyl] 3,6-dichloropyridine-2-carboxylate
CID 26645827
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(4-benzamidophenyl) benzoate
CID 569583
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-[[4-[(2-chlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931169
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
[4-[(Z)-[[2-[2-[(4-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6300034
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate (CID 8917316) is [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate?
The InChIKey is PIOPUZXDFRDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3/c1-14-6-8-15(9-7-14)21(25)26-17-12-10-16(11-13-17)23-20(24)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,24).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate?
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate has a molecular weight of 365.82 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate is sourced from PubChem (CID 8917316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).