N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide

C15H15F3N4O2 — CID 18955395

IUPACN-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(NC1CC1)C(F)(F)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C15H15F3N4O2/c16-12-4-2-1-3-11(12)14(24,7-22-9-19-8-20-22)15(17,18)13(23)21-10-5-6-10/h1-4,8-10,24H,5-7H2,(H,21,23)
InChIKeySHTTVHQFRKJCPV-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.22
Rot. Bonds6

About N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide

N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 18955395) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID18955395
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(NC1CC1)C(F)(F)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C15H15F3N4O2/c16-12-4-2-1-3-11(12)14(24,7-22-9-19-8-20-22)15(17,18)13(23)21-10-5-6-10/h1-4,8-10,24H,5-7H2,(H,21,23)
InChIKeySHTTVHQFRKJCPV-UHFFFAOYSA-N
XLogP1.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-4-(1,2,4-triazol-1-yl)butanehydrazide
CID 19973099
(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 22645501
1-benzylsulfonyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10717458
3-(2,4-difluorophenyl)-2-ethyl-3-hydroxy-2-phenyl-4-(1,2,4-triazol-1-yl)butanoic acid
CID 67816852
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
CID 123171054
(2R)-1-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10573484
2-(2,4-difluorophenyl)-4,4,5,5,5-pentafluoro-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
CID 23324898
2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18986656
1-tert-butylsulfanyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10594877

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide (CID 18955395) is N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide is O=C(NC1CC1)C(F)(F)C(O)(Cn1cncn1)c1ccccc1F.
What is the InChIKey of N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is SHTTVHQFRKJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-12-4-2-1-3-11(12)14(24,7-22-9-19-8-20-22)15(17,18)13(23)21-10-5-6-10/h1-4,8-10,24H,5-7H2,(H,21,23).
What are the key properties of N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide?
N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 340.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 18955395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).