4-(phenylcarbamoyl)benzoate

C28H20N2O6-2 — CID 158012761

IUPAC4-(phenylcarbamoyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1.O=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/2C14H11NO3/c2*16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h2*1-9H,(H,15,16)(H,17,18)/p-2
InChIKeyFFCCKYHWMOBEHO-UHFFFAOYSA-L
MW480.48 g/mol
LogP2.60
Rot. Bonds6

About 4-(phenylcarbamoyl)benzoate

4-(phenylcarbamoyl)benzoate (PubChem CID 158012761) has the molecular formula C28H20N2O6-2 and a molecular weight of 480.48 g/mol. Its IUPAC name is 4-(phenylcarbamoyl)benzoate.

Molecular Properties

Compound Name4-(phenylcarbamoyl)benzoate
PubChem CID158012761
Molecular FormulaC28H20N2O6-2
Molecular Weight480.48 g/mol
Exact Mass480.13
IUPAC Name4-(phenylcarbamoyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1.O=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/2C14H11NO3/c2*16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h2*1-9H,(H,15,16)(H,17,18)/p-2
InChIKeyFFCCKYHWMOBEHO-UHFFFAOYSA-L
XLogP2.60
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(phenylcarbamoyl)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-phenoxybenzoyl)amino]benzoate
CID 6953062
molecular hydrogen;N-phenylbenzamide
CID 145238042
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
cobalt(3+) tribenzoate
CID 20537733
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoyl)benzoate?
The IUPAC name of 4-(phenylcarbamoyl)benzoate (CID 158012761) is 4-(phenylcarbamoyl)benzoate.
What is the SMILES notation for 4-(phenylcarbamoyl)benzoate?
The canonical SMILES for 4-(phenylcarbamoyl)benzoate is O=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1.O=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(phenylcarbamoyl)benzoate?
The InChIKey is FFCCKYHWMOBEHO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11NO3/c2*16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h2*1-9H,(H,15,16)(H,17,18)/p-2.
What are the key properties of 4-(phenylcarbamoyl)benzoate?
4-(phenylcarbamoyl)benzoate has a molecular weight of 480.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoyl)benzoate is sourced from PubChem (CID 158012761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).