N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide

C12H15ClFNO2 — CID 115162954

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1cc(Cl)c(N(C)C(=O)CCCO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-6-9(13)11(7-10(8)14)15(2)12(17)4-3-5-16/h6-7,16H,3-5H2,1-2H3
InChIKeyDIRVFIDASIJAMI-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.52
Rot. Bonds4

About N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide

N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115162954) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
PubChem CID115162954
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1cc(Cl)c(N(C)C(=O)CCCO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-6-9(13)11(7-10(8)14)15(2)12(17)4-3-5-16/h6-7,16H,3-5H2,1-2H3
InChIKeyDIRVFIDASIJAMI-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-5-fluoro-N,4-dimethylanilino)butanoic acid
CID 115218595
N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166166
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
3-(2-chloro-5-fluoro-N,4-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135295
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
3-(2-chloro-5-fluoro-N,4-dimethylanilino)butanoic acid
CID 117042170
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140243
4-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]butanoic acid
CID 117045167

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide (CID 115162954) is N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide is Cc1cc(Cl)c(N(C)C(=O)CCCO)cc1F.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is DIRVFIDASIJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8-6-9(13)11(7-10(8)14)15(2)12(17)4-3-5-16/h6-7,16H,3-5H2,1-2H3.
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 259.71 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115162954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).