3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide

C16H20ClFN4O — CID 121176717

IUPAC3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
SMILESCC(C)C(Cn1nccn1)NC(=O)CCc1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN4O/c1-11(2)15(10-22-19-8-9-20-22)21-16(23)7-6-12-13(17)4-3-5-14(12)18/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,21,23)
InChIKeyFEBUIWFPHMWOHL-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.84
Rot. Bonds7

About 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide

3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide (PubChem CID 121176717) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
PubChem CID121176717
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
SMILESCC(C)C(Cn1nccn1)NC(=O)CCc1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN4O/c1-11(2)15(10-22-19-8-9-20-22)21-16(23)7-6-12-13(17)4-3-5-14(12)18/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,21,23)
InChIKeyFEBUIWFPHMWOHL-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
CID 129418206
1-(2-fluorophenyl)-3-[3-methyl-1-(triazol-2-yl)butan-2-yl]urea
CID 121176932
3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one
CID 146724838
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
CID 121176898
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 129416206
3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 91629768
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176314

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide (CID 121176717) is 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide is CC(C)C(Cn1nccn1)NC(=O)CCc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide?
The InChIKey is FEBUIWFPHMWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O/c1-11(2)15(10-22-19-8-9-20-22)21-16(23)7-6-12-13(17)4-3-5-14(12)18/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide?
3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide has a molecular weight of 338.81 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 121176717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).