N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide

C13H15F3N2O — CID 65188641

IUPACN-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
SMILESNCC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H,18,19)
InChIKeyFAXGHLRLCUSWRW-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.17
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide

N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide (PubChem CID 65188641) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
PubChem CID65188641
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
SMILESNCC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H,18,19)
InChIKeyFAXGHLRLCUSWRW-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119616797
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 119616497
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide (CID 65188641) is N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide is NCC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is FAXGHLRLCUSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide?
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 272.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 65188641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).