2-[(3-ethoxyphenyl)carbamoyl]benzoic acid

C16H15NO4 — CID 17098079

IUPAC2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
SMILESCCOc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-2-21-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyBDKZUMXEGBKSSP-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.04
Rot. Bonds5

About 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid

2-[(3-ethoxyphenyl)carbamoyl]benzoic acid (PubChem CID 17098079) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
PubChem CID17098079
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
SMILESCCOc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-2-21-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyBDKZUMXEGBKSSP-UHFFFAOYSA-N
XLogP3.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-[[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894758
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid (CID 17098079) is 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid is CCOc1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid?
The InChIKey is BDKZUMXEGBKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-21-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid?
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 17098079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).