N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide

C13H14F2N4O2 — CID 87042635

IUPACN-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1c(F)cc(NC(=O)CCCn2cncn2)cc1F
InChIInChI=1S/C13H14F2N4O2/c1-21-13-10(14)5-9(6-11(13)15)18-12(20)3-2-4-19-8-16-7-17-19/h5-8H,2-4H2,1H3,(H,18,20)
InChIKeyNBKZRPXUNRKBSX-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.98
Rot. Bonds6

About N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide

N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 87042635) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID87042635
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1c(F)cc(NC(=O)CCCn2cncn2)cc1F
InChIInChI=1S/C13H14F2N4O2/c1-21-13-10(14)5-9(6-11(13)15)18-12(20)3-2-4-19-8-16-7-17-19/h5-8H,2-4H2,1H3,(H,18,20)
InChIKeyNBKZRPXUNRKBSX-UHFFFAOYSA-N
XLogP1.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-difluoro-4-methoxyphenyl)-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-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042094
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 60504074
N-(4-bromo-2,6-difluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 65499520
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide (CID 87042635) is N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide is COc1c(F)cc(NC(=O)CCCn2cncn2)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is NBKZRPXUNRKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-21-13-10(14)5-9(6-11(13)15)18-12(20)3-2-4-19-8-16-7-17-19/h5-8H,2-4H2,1H3,(H,18,20).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 296.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 87042635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).