(4-benzamidophenyl) 4-carbamoylbenzoate

C21H16N2O4 — CID 35623223

IUPAC(4-benzamidophenyl) 4-carbamoylbenzoate
SMILESNC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H16N2O4/c22-19(24)14-6-8-16(9-7-14)21(26)27-18-12-10-17(11-13-18)23-20(25)15-4-2-1-3-5-15/h1-13H,(H2,22,24)(H,23,25)
InChIKeyLEFMLLVKSRIBQP-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.26
Rot. Bonds5

About (4-benzamidophenyl) 4-carbamoylbenzoate

(4-benzamidophenyl) 4-carbamoylbenzoate (PubChem CID 35623223) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (4-benzamidophenyl) 4-carbamoylbenzoate.

Molecular Properties

Compound Name(4-benzamidophenyl) 4-carbamoylbenzoate
PubChem CID35623223
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(4-benzamidophenyl) 4-carbamoylbenzoate
SMILESNC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H16N2O4/c22-19(24)14-6-8-16(9-7-14)21(26)27-18-12-10-17(11-13-18)23-20(25)15-4-2-1-3-5-15/h1-13H,(H2,22,24)(H,23,25)
InChIKeyLEFMLLVKSRIBQP-UHFFFAOYSA-N
XLogP3.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzamidophenyl) benzoate
CID 569583
(4-benzamidophenyl) 4-methylsulfinylbenzoate
CID 51182394
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
(4-benzamidophenyl) acetate
CID 34734144
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
(4-phenoxycarbonyloxyphenyl) 3-[(4-phenoxycarbonyloxybenzoyl)amino]-5-[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoate
CID 118041941
(4-benzamidophenyl) 3-(2,2-dimethylpropanoylamino)benzoate
CID 35189238

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 4-carbamoylbenzoate?
The IUPAC name of (4-benzamidophenyl) 4-carbamoylbenzoate (CID 35623223) is (4-benzamidophenyl) 4-carbamoylbenzoate.
What is the SMILES notation for (4-benzamidophenyl) 4-carbamoylbenzoate?
The canonical SMILES for (4-benzamidophenyl) 4-carbamoylbenzoate is NC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-benzamidophenyl) 4-carbamoylbenzoate?
The InChIKey is LEFMLLVKSRIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c22-19(24)14-6-8-16(9-7-14)21(26)27-18-12-10-17(11-13-18)23-20(25)15-4-2-1-3-5-15/h1-13H,(H2,22,24)(H,23,25).
What are the key properties of (4-benzamidophenyl) 4-carbamoylbenzoate?
(4-benzamidophenyl) 4-carbamoylbenzoate has a molecular weight of 360.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 4-carbamoylbenzoate is sourced from PubChem (CID 35623223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).