methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate

C16H14N2O4 — CID 17175176

IUPACmethyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)12-4-2-3-11(9-12)15(20)18-13-7-5-10(6-8-13)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20)
InChIKeyFLUZTKHBRYEAOW-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.82
Rot. Bonds4

About methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate

methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate (PubChem CID 17175176) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
PubChem CID17175176
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)12-4-2-3-11(9-12)15(20)18-13-7-5-10(6-8-13)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20)
InChIKeyFLUZTKHBRYEAOW-UHFFFAOYSA-N
XLogP1.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
methyl 3-[[(4-acetamidobenzoyl)amino]carbamoyl]benzoate
CID 17175396
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
methyl 3-(naphthalen-2-ylcarbamoyl)benzoate
CID 17232043
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate (CID 17175176) is methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate?
The InChIKey is FLUZTKHBRYEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-16(21)12-4-2-3-11(9-12)15(20)18-13-7-5-10(6-8-13)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20).
What are the key properties of methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate?
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate has a molecular weight of 298.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 17175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).