2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C16H20ClF3N2O2 — CID 113166628

IUPAC2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H20ClF3N2O2/c1-10(2)6-7-22(11(3)23)9-15(24)21-14-5-4-12(17)8-13(14)16(18,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyFCRDUKFJZJXXJW-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.19
Rot. Bonds6

About 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113166628) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID113166628
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H20ClF3N2O2/c1-10(2)6-7-22(11(3)23)9-15(24)21-14-5-4-12(17)8-13(14)16(18,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyFCRDUKFJZJXXJW-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide
CID 55838949
2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113168215
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 46801872
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 113166628) is 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCC(C)C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FCRDUKFJZJXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c1-10(2)6-7-22(11(3)23)9-15(24)21-14-5-4-12(17)8-13(14)16(18,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,24).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.80 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113166628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).