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

C15H21F3N2O — CID 60704100

IUPACN-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(C)C(=O)NCC(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-9(2)8-19-14(21)11(4)20-12-6-5-10(3)13(7-12)15(16,17)18/h5-7,9,11,20H,8H2,1-4H3,(H,19,21)
InChIKeyHQAIINJAEWOHCC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.59
Rot. Bonds5

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

N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 60704100) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID60704100
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(C)C(=O)NCC(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-9(2)8-19-14(21)11(4)20-12-6-5-10(3)13(7-12)15(16,17)18/h5-7,9,11,20H,8H2,1-4H3,(H,19,21)
InChIKeyHQAIINJAEWOHCC-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (CID 60704100) is N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is Cc1ccc(NC(C)C(=O)NCC(C)C)cc1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is HQAIINJAEWOHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-9(2)8-19-14(21)11(4)20-12-6-5-10(3)13(7-12)15(16,17)18/h5-7,9,11,20H,8H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 60704100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).