2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide

C19H17F3N4O — CID 53233720

IUPAC2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-2-15(13-6-4-3-5-7-13)18(27)25-16-10-14(19(20,21)22)8-9-17(16)26-12-23-11-24-26/h3-12,15H,2H2,1H3,(H,25,27)
InChIKeySCAKVDOCVRWXKI-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.42
Rot. Bonds5

About 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide

2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 53233720) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
PubChem CID53233720
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-2-15(13-6-4-3-5-7-13)18(27)25-16-10-14(19(20,21)22)8-9-17(16)26-12-23-11-24-26/h3-12,15H,2H2,1H3,(H,25,27)
InChIKeySCAKVDOCVRWXKI-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide (CID 53233720) is 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is SCAKVDOCVRWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-2-15(13-6-4-3-5-7-13)18(27)25-16-10-14(19(20,21)22)8-9-17(16)26-12-23-11-24-26/h3-12,15H,2H2,1H3,(H,25,27).
What are the key properties of 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 374.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 53233720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).