N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide

C11H13F2NO2 — CID 82819991

IUPACN-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
SMILESCc1ccc(F)c(NC(=O)CCCO)c1F
InChIInChI=1S/C11H13F2NO2/c1-7-4-5-8(12)11(10(7)13)14-9(16)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyQVXKOEFNVSHMBL-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.98
Rot. Bonds4

About N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide

N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide (PubChem CID 82819991) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
PubChem CID82819991
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
SMILESCc1ccc(F)c(NC(=O)CCCO)c1F
InChIInChI=1S/C11H13F2NO2/c1-7-4-5-8(12)11(10(7)13)14-9(16)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyQVXKOEFNVSHMBL-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
N-(2,6-difluoro-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 82817941
2-(2-aminoethoxy)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82817938
N-(2,6-difluoro-3-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 82819723
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide (CID 82819991) is N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide is Cc1ccc(F)c(NC(=O)CCCO)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide?
The InChIKey is QVXKOEFNVSHMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-4-5-8(12)11(10(7)13)14-9(16)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide?
N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide has a molecular weight of 229.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 82819991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).