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

C15H18ClF3N2O2 — CID 113158787

IUPAC2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C15H18ClF3N2O2/c1-3-4-7-21(10(2)22)9-14(23)20-11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23)
InChIKeyRSEACSBZQUJKQQ-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.95
Rot. Bonds6

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

2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113158787) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID113158787
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C15H18ClF3N2O2/c1-3-4-7-21(10(2)22)9-14(23)20-11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23)
InChIKeyRSEACSBZQUJKQQ-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113115089
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-amino-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N,2-dimethylpentanamide
CID 119683177
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113117423
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 113158787) is 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CCCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RSEACSBZQUJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-3-4-7-21(10(2)22)9-14(23)20-11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 350.77 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113158787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).