2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide

C12H15ClFNO2 — CID 117045026

IUPAC2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)N(C)CCCO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-6-10(13)9(7-11(8)14)12(17)15(2)4-3-5-16/h6-7,16H,3-5H2,1-2H3
InChIKeyIIPKGTIHTAWMMY-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.24
Rot. Bonds4

About 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide

2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide (PubChem CID 117045026) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
PubChem CID117045026
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)N(C)CCCO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-6-10(13)9(7-11(8)14)12(17)15(2)4-3-5-16/h6-7,16H,3-5H2,1-2H3
InChIKeyIIPKGTIHTAWMMY-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
CID 114230616
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162954
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide?
The IUPAC name of 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide (CID 117045026) is 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide is Cc1cc(Cl)c(C(=O)N(C)CCCO)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide?
The InChIKey is IIPKGTIHTAWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8-6-10(13)9(7-11(8)14)12(17)15(2)4-3-5-16/h6-7,16H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide?
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 117045026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).