2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide

C14H18ClF3N2O — CID 116699479

IUPAC2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-8(2)9(3)20-13(21)7-19-12-5-10(14(16,17)18)4-11(15)6-12/h4-6,8-9,19H,7H2,1-3H3,(H,20,21)
InChIKeyCYOQCCNYPIAXHR-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.93
Rot. Bonds5

About 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide

2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 116699479) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID116699479
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-8(2)9(3)20-13(21)7-19-12-5-10(14(16,17)18)4-11(15)6-12/h4-6,8-9,19H,7H2,1-3H3,(H,20,21)
InChIKeyCYOQCCNYPIAXHR-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
4-[3-chloro-5-(trifluoromethyl)anilino]butanenitrile
CID 116699505
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide (CID 116699479) is 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is CYOQCCNYPIAXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-8(2)9(3)20-13(21)7-19-12-5-10(14(16,17)18)4-11(15)6-12/h4-6,8-9,19H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide?
2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 322.76 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 116699479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).