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

C17H16N2O4 — CID 17175145

IUPACmethyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-14-6-8-15(9-7-14)19-16(21)12-4-3-5-13(10-12)17(22)23-2/h3-10H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKDQDMXOYPVMDEA-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.68
Rot. Bonds4

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

methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate (PubChem CID 17175145) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
PubChem CID17175145
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-14-6-8-15(9-7-14)19-16(21)12-4-3-5-13(10-12)17(22)23-2/h3-10H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKDQDMXOYPVMDEA-UHFFFAOYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(4-acetamidobenzoyl)amino]carbamoyl]benzoate
CID 17175396
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
methyl 3-(naphthalen-2-ylcarbamoyl)benzoate
CID 17232043
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate (CID 17175145) is methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate?
The InChIKey is KDQDMXOYPVMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)18-14-6-8-15(9-7-14)19-16(21)12-4-3-5-13(10-12)17(22)23-2/h3-10H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate?
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate has a molecular weight of 312.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate is sourced from PubChem (CID 17175145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).