4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid

C16H15NO4 — CID 53227834

IUPAC4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
SMILESCCNC(=O)c1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C16H15NO4/c1-2-17-15(19)12-5-3-4-10(8-12)11-6-7-13(16(20)21)14(18)9-11/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyXCGFMDXHGVJABZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.51
Rot. Bonds4

About 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid

4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid (PubChem CID 53227834) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
PubChem CID53227834
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
SMILESCCNC(=O)c1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C16H15NO4/c1-2-17-15(19)12-5-3-4-10(8-12)11-6-7-13(16(20)21)14(18)9-11/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyXCGFMDXHGVJABZ-UHFFFAOYSA-N
XLogP2.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
N-ethyl-3-hydroxybenzamide
CID 13175248
2-hydroxy-4-(propylcarbamoyl)benzoic acid
CID 162361701
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid (CID 53227834) is 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid is CCNC(=O)c1cccc(-c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid?
The InChIKey is XCGFMDXHGVJABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-17-15(19)12-5-3-4-10(8-12)11-6-7-13(16(20)21)14(18)9-11/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid?
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 53227834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).