3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C16H20ClF3N2O2 — CID 113115861

IUPAC3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O
InChIInChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-10-12(16(18,19)20)5-6-13(14)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24)
InChIKeyYBMBEHKAPDGGTJ-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.34
Rot. Bonds7

About 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 113115861) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID113115861
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O
InChIInChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-10-12(16(18,19)20)5-6-13(14)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24)
InChIKeyYBMBEHKAPDGGTJ-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

2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
methyl 3-[3-[acetyl(butyl)amino]propanoylamino]-4-chlorobenzoate
CID 113115860
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113118133
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113135801
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 113115861) is 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is CCCCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YBMBEHKAPDGGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c1-3-4-8-22(11(2)23)9-7-15(24)21-14-10-12(16(18,19)20)5-6-13(14)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(butyl)amino]-N-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113115861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).