3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide

C20H21FN4O — CID 121176314

IUPAC3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
SMILESCc1cc(CCC(=O)NC(Cn2nccn2)c2ccccc2)ccc1F
InChIInChI=1S/C20H21FN4O/c1-15-13-16(7-9-18(15)21)8-10-20(26)24-19(14-25-22-11-12-23-25)17-5-3-2-4-6-17/h2-7,9,11-13,19H,8,10,14H2,1H3,(H,24,26)
InChIKeyUZNUMFLAUBVBFI-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.22
Rot. Bonds7

About 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide

3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide (PubChem CID 121176314) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
PubChem CID121176314
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
SMILESCc1cc(CCC(=O)NC(Cn2nccn2)c2ccccc2)ccc1F
InChIInChI=1S/C20H21FN4O/c1-15-13-16(7-9-18(15)21)8-10-20(26)24-19(14-25-22-11-12-23-25)17-5-3-2-4-6-17/h2-7,9,11-13,19H,8,10,14H2,1H3,(H,24,26)
InChIKeyUZNUMFLAUBVBFI-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
3-(4-chloro-3-fluorophenyl)-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 129417209
3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide (CID 121176314) is 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide is Cc1cc(CCC(=O)NC(Cn2nccn2)c2ccccc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The InChIKey is UZNUMFLAUBVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-15-13-16(7-9-18(15)21)8-10-20(26)24-19(14-25-22-11-12-23-25)17-5-3-2-4-6-17/h2-7,9,11-13,19H,8,10,14H2,1H3,(H,24,26).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide has a molecular weight of 352.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 121176314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).