2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid

C17H15NO5 — CID 4103042

IUPAC2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c1-2-23-17(22)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVODFTAXUYDEDQ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.81
Rot. Bonds5

About 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid

2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid (PubChem CID 4103042) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid
PubChem CID4103042
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c1-2-23-17(22)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVODFTAXUYDEDQ-UHFFFAOYSA-N
XLogP2.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid (CID 4103042) is 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid is CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid?
The InChIKey is ZVODFTAXUYDEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-2-23-17(22)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid?
2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 4103042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).