2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid

C17H16N2O4 — CID 17230631

IUPAC2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-2-18-15(20)11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyKQQHGNYVGYIAHD-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid

2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 17230631) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID17230631
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-2-18-15(20)11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyKQQHGNYVGYIAHD-UHFFFAOYSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
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2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 17230631) is 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid is CCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is KQQHGNYVGYIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-18-15(20)11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 17230631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).