3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C18H17FN4O — CID 87031833

IUPAC3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17FN4O/c19-16-7-3-1-5-14(16)9-10-18(24)22-17-8-4-2-6-15(17)11-23-13-20-12-21-23/h1-8,12-13H,9-11H2,(H,22,24)
InChIKeyPDOVFXYPQAMKRJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 87031833) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID87031833
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C18H17FN4O/c19-16-7-3-1-5-14(16)9-10-18(24)22-17-8-4-2-6-15(17)11-23-13-20-12-21-23/h1-8,12-13H,9-11H2,(H,22,24)
InChIKeyPDOVFXYPQAMKRJ-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907752
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55978479
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131908904

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 87031833) is 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccccc1F)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is PDOVFXYPQAMKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-7-3-1-5-14(16)9-10-18(24)22-17-8-4-2-6-15(17)11-23-13-20-12-21-23/h1-8,12-13H,9-11H2,(H,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 324.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 87031833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).