N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide

C15H21F3N2O — CID 60721218

IUPACN-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-5-10(3)19-14(21)11(4)20-12-7-6-9(2)13(8-12)15(16,17)18/h6-8,10-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyQPTIAPUFRNKAMI-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.73
Rot. Bonds5

About N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide

N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 60721218) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID60721218
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-5-10(3)19-14(21)11(4)20-12-7-6-9(2)13(8-12)15(16,17)18/h6-8,10-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyQPTIAPUFRNKAMI-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
CID 43244370
N-butan-2-yl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 43112666
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (CID 60721218) is N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is CCC(C)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is QPTIAPUFRNKAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-5-10(3)19-14(21)11(4)20-12-7-6-9(2)13(8-12)15(16,17)18/h6-8,10-11,20H,5H2,1-4H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 60721218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).