N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide

C19H18F2N4O2 — CID 19365924

IUPACN-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide
SMILESCC(c1ccc(NC=O)cc1)C(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-13(14-2-5-16(6-3-14)23-12-26)19(27,9-25-11-22-10-24-25)17-7-4-15(20)8-18(17)21/h2-8,10-13,27H,9H2,1H3,(H,23,26)
InChIKeyVFNFQWCLUZRNGT-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.82
Rot. Bonds7

About N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide

N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide (PubChem CID 19365924) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide
PubChem CID19365924
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide
SMILESCC(c1ccc(NC=O)cc1)C(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-13(14-2-5-16(6-3-14)23-12-26)19(27,9-25-11-22-10-24-25)17-7-4-15(20)8-18(17)21/h2-8,10-13,27H,9H2,1H3,(H,23,26)
InChIKeyVFNFQWCLUZRNGT-UHFFFAOYSA-N
XLogP2.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide?
The IUPAC name of N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide (CID 19365924) is N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide?
The canonical SMILES for N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide is CC(c1ccc(NC=O)cc1)C(O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide?
The InChIKey is VFNFQWCLUZRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-13(14-2-5-16(6-3-14)23-12-26)19(27,9-25-11-22-10-24-25)17-7-4-15(20)8-18(17)21/h2-8,10-13,27H,9H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide?
N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide has a molecular weight of 372.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phenyl]formamide is sourced from PubChem (CID 19365924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).