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

C17H16N2O4 — CID 4949321

IUPAC2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCNC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H16N2O4/c1-2-18-15(20)13-9-5-6-10-14(13)19-16(21)11-7-3-4-8-12(11)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFATQKQVQOCXOHM-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.39
Rot. Bonds5

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

2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 4949321) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID4949321
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCNC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H16N2O4/c1-2-18-15(20)13-9-5-6-10-14(13)19-16(21)11-7-3-4-8-12(11)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFATQKQVQOCXOHM-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

2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 4949321) is 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid is CCNC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is FATQKQVQOCXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-18-15(20)13-9-5-6-10-14(13)19-16(21)11-7-3-4-8-12(11)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[2-(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-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 4949321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).