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

C16H20ClF3N2O2 — CID 113115887

IUPAC3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)=O
InChIInChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-6-5-12(17)10-13(14)16(18,19)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24)
InChIKeyXAHOGVMLFAQNQV-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.34
Rot. Bonds7

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

3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 113115887) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID113115887
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)=O
InChIInChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-6-5-12(17)10-13(14)16(18,19)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24)
InChIKeyXAHOGVMLFAQNQV-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113166628
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 113115887) is 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is CCCCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XAHOGVMLFAQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-6-5-12(17)10-13(14)16(18,19)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.80 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113115887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).