2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide

C16H19F6NO — CID 102482272

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6NO/c1-4-5-6-23-13(24)14(2,3)10-7-11(15(17,18)19)9-12(8-10)16(20,21)22/h7-9H,4-6H2,1-3H3,(H,23,24)
InChIKeyDQNUSGIBDDZOLT-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.92
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide (PubChem CID 102482272) has the molecular formula C16H19F6NO and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide
PubChem CID102482272
Molecular FormulaC16H19F6NO
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6NO/c1-4-5-6-23-13(24)14(2,3)10-7-11(15(17,18)19)9-12(8-10)16(20,21)22/h7-9H,4-6H2,1-3H3,(H,23,24)
InChIKeyDQNUSGIBDDZOLT-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(butylamino)-2-sulfanylideneacetamide
CID 17385638
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743
2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoyl]amino]butyl]-2-methylpropanamide
CID 139948412
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33163919
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide
CID 57031934
1-butyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 3468600
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71848431
2,2,2-trifluoro-N-icosylacetamide
CID 91692791

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide (CID 102482272) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide is CCCCNC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide?
The InChIKey is DQNUSGIBDDZOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F6NO/c1-4-5-6-23-13(24)14(2,3)10-7-11(15(17,18)19)9-12(8-10)16(20,21)22/h7-9H,4-6H2,1-3H3,(H,23,24).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide has a molecular weight of 355.32 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide is sourced from PubChem (CID 102482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).