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

C15H18ClFN4O — CID 129418206

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN4O/c1-10(2)14(9-21-18-6-7-19-21)20-15(22)8-11-12(16)4-3-5-13(11)17/h3-7,10,14H,8-9H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyYOPYKCBHHFBPLZ-AWEZNQCLSA-N
MW324.79 g/mol
LogP2.45
Rot. Bonds6

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

2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (PubChem CID 129418206) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
PubChem CID129418206
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN4O/c1-10(2)14(9-21-18-6-7-19-21)20-15(22)8-11-12(16)4-3-5-13(11)17/h3-7,10,14H,8-9H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyYOPYKCBHHFBPLZ-AWEZNQCLSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 121176717
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514
1-(2-fluorophenyl)-3-[3-methyl-1-(triazol-2-yl)butan-2-yl]urea
CID 121176932
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467796
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 129416206

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (CID 129418206) is 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is CC(C)[C@H](Cn1nccn1)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The InChIKey is YOPYKCBHHFBPLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-10(2)14(9-21-18-6-7-19-21)20-15(22)8-11-12(16)4-3-5-13(11)17/h3-7,10,14H,8-9H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 129418206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).