4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride

C15H22ClF3N2O — CID 119733487

IUPAC4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)Cc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-11(20-14(21)4-3-9-19-2)10-12-5-7-13(8-6-12)15(16,17)18;/h5-8,11,19H,3-4,9-10H2,1-2H3,(H,20,21);1H
InChIKeyKEXSYEXTFOSJEK-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.17
Rot. Bonds7

About 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride

4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride (PubChem CID 119733487) has the molecular formula C15H22ClF3N2O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
PubChem CID119733487
Molecular FormulaC15H22ClF3N2O
Molecular Weight338.80 g/mol
Exact Mass338.14
IUPAC Name4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)Cc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-11(20-14(21)4-3-9-19-2)10-12-5-7-13(8-6-12)15(16,17)18;/h5-8,11,19H,3-4,9-10H2,1-2H3,(H,20,21);1H
InChIKeyKEXSYEXTFOSJEK-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
CID 119765445

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride (CID 119733487) is 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride is CNCCCC(=O)NC(C)Cc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The InChIKey is KEXSYEXTFOSJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.ClH/c1-11(20-14(21)4-3-9-19-2)10-12-5-7-13(8-6-12)15(16,17)18;/h5-8,11,19H,3-4,9-10H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119733487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).