2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid

C16H14FNO3 — CID 53227842

IUPAC2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
SMILESCCNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-2-18-15(19)11-6-3-5-10(9-11)12-7-4-8-13(17)14(12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGAACTNRMQZUWMQ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.94
Rot. Bonds4

About 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid

2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid (PubChem CID 53227842) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
PubChem CID53227842
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
SMILESCCNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-2-18-15(19)11-6-3-5-10(9-11)12-7-4-8-13(17)14(12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGAACTNRMQZUWMQ-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid?
The IUPAC name of 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid (CID 53227842) is 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid?
The canonical SMILES for 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid is CCNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid?
The InChIKey is GAACTNRMQZUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-2-18-15(19)11-6-3-5-10(9-11)12-7-4-8-13(17)14(12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid?
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid is sourced from PubChem (CID 53227842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).