3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide

C19H18ClF3N2O2 — CID 113131653

IUPAC3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-11-15(19(21,22)23)7-8-16(17)20)10-9-18(27)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyVDQWTCSYMYDLOS-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.42
Rot. Bonds6

About 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide

3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide (PubChem CID 113131653) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
PubChem CID113131653
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-11-15(19(21,22)23)7-8-16(17)20)10-9-18(27)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyVDQWTCSYMYDLOS-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 113131659
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]-2-ethylbutanamide
CID 113062130
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide?
The IUPAC name of 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide (CID 113131653) is 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide.
What is the SMILES notation for 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide?
The canonical SMILES for 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide?
The InChIKey is VDQWTCSYMYDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-11-15(19(21,22)23)7-8-16(17)20)10-9-18(27)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,27).
What are the key properties of 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide?
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide has a molecular weight of 398.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide is sourced from PubChem (CID 113131653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).