N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H15F2N5O — CID 86784056

IUPACN-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Nc1ccc(F)cc1F)n1cncn1
InChIInChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-16-5-3-2-4-15(16)22-14-7-6-12(18)8-13(14)19/h2-11,22H,1H3,(H,23,25)
InChIKeyHRKSFNGRZPAVDJ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 86784056) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID86784056
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Nc1ccc(F)cc1F)n1cncn1
InChIInChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-16-5-3-2-4-15(16)22-14-7-6-12(18)8-13(14)19/h2-11,22H,1H3,(H,23,25)
InChIKeyHRKSFNGRZPAVDJ-UHFFFAOYSA-N
XLogP3.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 154833965
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75517942
(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 31912423
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 50965855
(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532804

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 86784056) is N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccccc1Nc1ccc(F)cc1F)n1cncn1.
What is the InChIKey of N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HRKSFNGRZPAVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-16-5-3-2-4-15(16)22-14-7-6-12(18)8-13(14)19/h2-11,22H,1H3,(H,23,25).
What are the key properties of N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 343.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 86784056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).