2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

C15H20ClF3N2O2 — CID 119767143

IUPAC2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNCC2CC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-22-12-5-4-11(13(6-12)15(16,17)18)8-20-14(21)9-19-7-10-2-3-10;/h4-6,10,19H,2-3,7-9H2,1H3,(H,20,21);1H
InChIKeyGWPVPAVCDCQVEP-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.75
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119767143) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119767143
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNCC2CC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-22-12-5-4-11(13(6-12)15(16,17)18)8-20-14(21)9-19-7-10-2-3-10;/h4-6,10,19H,2-3,7-9H2,1H3,(H,20,21);1H
InChIKeyGWPVPAVCDCQVEP-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
1-butanoyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362374
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112840964
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]urea
CID 97321321
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934849

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (CID 119767143) is 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is COc1ccc(CNC(=O)CNCC2CC2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is GWPVPAVCDCQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-22-12-5-4-11(13(6-12)15(16,17)18)8-20-14(21)9-19-7-10-2-3-10;/h4-6,10,19H,2-3,7-9H2,1H3,(H,20,21);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119767143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).