3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide

C15H13ClFNO2 — CID 137334943

IUPAC3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2cc(Cl)c(O)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-18-15(20)10-5-3-4-9(6-10)11-7-12(16)14(19)8-13(11)17/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyMDWKDEOKESYLJM-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.60
Rot. Bonds3

About 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide

3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide (PubChem CID 137334943) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
PubChem CID137334943
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2cc(Cl)c(O)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-18-15(20)10-5-3-4-9(6-10)11-7-12(16)14(19)8-13(11)17/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyMDWKDEOKESYLJM-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
N-ethyl-3-hydroxybenzamide
CID 13175248
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
CID 126440716
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide?
The IUPAC name of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide (CID 137334943) is 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide.
What is the SMILES notation for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide?
The canonical SMILES for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide is CCNC(=O)c1cccc(-c2cc(Cl)c(O)cc2F)c1.
What is the InChIKey of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide?
The InChIKey is MDWKDEOKESYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-2-18-15(20)10-5-3-4-9(6-10)11-7-12(16)14(19)8-13(11)17/h3-8,19H,2H2,1H3,(H,18,20).
What are the key properties of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide?
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide is sourced from PubChem (CID 137334943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).