2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide

C19H17FN4O — CID 78860178

IUPAC2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccccc1F
InChIInChI=1S/C19H17FN4O/c20-18-4-2-1-3-15(18)16-9-17(16)19(25)23-14-7-5-13(6-8-14)10-24-12-21-11-22-24/h1-8,11-12,16-17H,9-10H2,(H,23,25)
InChIKeyFIVXFRHCEFQVLG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 78860178) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID78860178
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccccc1F
InChIInChI=1S/C19H17FN4O/c20-18-4-2-1-3-15(18)16-9-17(16)19(25)23-14-7-5-13(6-8-14)10-24-12-21-11-22-24/h1-8,11-12,16-17H,9-10H2,(H,23,25)
InChIKeyFIVXFRHCEFQVLG-UHFFFAOYSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 8097905
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CID 10019891
N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
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N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
N-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 71461338
N-(4-benzylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188140
3-(3-nitro-1,2,4-triazol-1-yl)-N-(3-phenylphenyl)propanamide
CID 145965809
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 9120296
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 53233722
N-(4-fluorophenyl)-4-(4H-1,2,4-triazol-4-yl)benzamide
CID 6457725
N-(2,4-dimethylphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 78860178) is 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FIVXFRHCEFQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-18-4-2-1-3-15(18)16-9-17(16)19(25)23-14-7-5-13(6-8-14)10-24-12-21-11-22-24/h1-8,11-12,16-17H,9-10H2,(H,23,25).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78860178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).