2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C14H17F3N2O — CID 62879952

IUPAC2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(N)(C(=O)NCc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H17F3N2O/c1-13(18,10-6-7-10)12(20)19-8-9-4-2-3-5-11(9)14(15,16)17/h2-5,10H,6-8,18H2,1H3,(H,19,20)
InChIKeyKCVPACRDUYMEAF-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 62879952) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID62879952
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(N)(C(=O)NCc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H17F3N2O/c1-13(18,10-6-7-10)12(20)19-8-9-4-2-3-5-11(9)14(15,16)17/h2-5,10H,6-8,18H2,1H3,(H,19,20)
InChIKeyKCVPACRDUYMEAF-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114956009
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 62879952) is 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is CC(N)(C(=O)NCc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KCVPACRDUYMEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-13(18,10-6-7-10)12(20)19-8-9-4-2-3-5-11(9)14(15,16)17/h2-5,10H,6-8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 286.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 62879952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).