N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide

C13H17ClFNO2 — CID 79199252

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCCO
InChIInChI=1S/C13H17ClFNO2/c1-16(13(18)7-2-3-8-17)9-10-11(14)5-4-6-12(10)15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyHSZUVYFBWUZSJA-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide (PubChem CID 79199252) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
PubChem CID79199252
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCCO
InChIInChI=1S/C13H17ClFNO2/c1-16(13(18)7-2-3-8-17)9-10-11(14)5-4-6-12(10)15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyHSZUVYFBWUZSJA-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbutanamide
CID 46654113
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
CID 55461829

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide (CID 79199252) is N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCCCO.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide?
The InChIKey is HSZUVYFBWUZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-16(13(18)7-2-3-8-17)9-10-11(14)5-4-6-12(10)15/h4-6,17H,2-3,7-9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide has a molecular weight of 273.73 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79199252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).