2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide

C10H11ClFNO2 — CID 117044379

IUPAC2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCO)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-6-4-8(11)7(5-9(6)12)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15)
InChIKeyUOGDQANZBPZNKW-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.51
Rot. Bonds3

About 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide

2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide (PubChem CID 117044379) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
PubChem CID117044379
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCO)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-6-4-8(11)7(5-9(6)12)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15)
InChIKeyUOGDQANZBPZNKW-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
2-chloro-5-fluoro-4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044920
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide (CID 117044379) is 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide is Cc1cc(Cl)c(C(=O)NCCO)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide?
The InChIKey is UOGDQANZBPZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6-4-8(11)7(5-9(6)12)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15).
What are the key properties of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide?
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide has a molecular weight of 231.65 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide is sourced from PubChem (CID 117044379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).