2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid

C16H15NO4 — CID 61236618

IUPAC2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H15NO4/c18-10-9-11-5-7-12(8-6-11)17-15(19)13-3-1-2-4-14(13)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyJRSCBRKXVNFUEO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.17
Rot. Bonds5

About 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid

2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid (PubChem CID 61236618) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
PubChem CID61236618
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H15NO4/c18-10-9-11-5-7-12(8-6-11)17-15(19)13-3-1-2-4-14(13)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyJRSCBRKXVNFUEO-UHFFFAOYSA-N
XLogP2.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2-[[4-(3-hydroxy-3-methylbutyl)phenyl]carbamoyl]benzoic acid
CID 85471935
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid (CID 61236618) is 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is JRSCBRKXVNFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-10-9-11-5-7-12(8-6-11)17-15(19)13-3-1-2-4-14(13)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 61236618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).