N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide

C11H13F2NO3 — CID 115162824

IUPACN-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
SMILESCOc1cc(F)c(NC(=O)CCCO)cc1F
InChIInChI=1S/C11H13F2NO3/c1-17-10-6-7(12)9(5-8(10)13)14-11(16)3-2-4-15/h5-6,15H,2-4H2,1H3,(H,14,16)
InChIKeyJQDPSXZWYGJDRP-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.68
Rot. Bonds5

About N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide

N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide (PubChem CID 115162824) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
PubChem CID115162824
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
SMILESCOc1cc(F)c(NC(=O)CCCO)cc1F
InChIInChI=1S/C11H13F2NO3/c1-17-10-6-7(12)9(5-8(10)13)14-11(16)3-2-4-15/h5-6,15H,2-4H2,1H3,(H,14,16)
InChIKeyJQDPSXZWYGJDRP-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
2-(2,5-difluoro-4-methoxyanilino)ethanol
CID 82648067
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
4-[(2,5-difluoro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122086650
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide?
The IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide (CID 115162824) is N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide is COc1cc(F)c(NC(=O)CCCO)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide?
The InChIKey is JQDPSXZWYGJDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-17-10-6-7(12)9(5-8(10)13)14-11(16)3-2-4-15/h5-6,15H,2-4H2,1H3,(H,14,16).
What are the key properties of N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide?
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide has a molecular weight of 245.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 115162824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).