N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide

C14H19F3N2O — CID 43088640

IUPACN-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-9(2)8-18-13(20)10(3)19-12-7-5-4-6-11(12)14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20)
InChIKeyWVRMVGITDRIQEN-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.28
Rot. Bonds5

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

N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide (PubChem CID 43088640) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
PubChem CID43088640
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-9(2)8-18-13(20)10(3)19-12-7-5-4-6-11(12)14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20)
InChIKeyWVRMVGITDRIQEN-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(2-propan-2-ylanilino)propanamide
CID 43088669
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
CID 43086912
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide (CID 43088640) is N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide is CC(C)CNC(=O)C(C)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide?
The InChIKey is WVRMVGITDRIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)8-18-13(20)10(3)19-12-7-5-4-6-11(12)14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide?
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide has a molecular weight of 288.31 g/mol, XLogP of 3.28, 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-[2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).