N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide

C12H12F2N4O — CID 86822852

IUPACN-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-10-4-3-9(6-11(10)14)17-12(19)2-1-5-18-8-15-7-16-18/h3-4,6-8H,1-2,5H2,(H,17,19)
InChIKeyQLYLPXZIECKIMO-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.98
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide

N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 86822852) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID86822852
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-10-4-3-9(6-11(10)14)17-12(19)2-1-5-18-8-15-7-16-18/h3-4,6-8H,1-2,5H2,(H,17,19)
InChIKeyQLYLPXZIECKIMO-UHFFFAOYSA-N
XLogP1.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042094
N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042635
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 60504074
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide (CID 86822852) is N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is QLYLPXZIECKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-10-4-3-9(6-11(10)14)17-12(19)2-1-5-18-8-15-7-16-18/h3-4,6-8H,1-2,5H2,(H,17,19).
What are the key properties of N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 266.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 86822852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).