N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C19H20ClF3N2O — CID 119529643

IUPACN-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C19H19F3N2O.ClH/c20-19(21,22)15-8-4-7-14(11-15)18(9-10-18)17(25)24-12-16(23)13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,23H2,(H,24,25);1H
InChIKeyIXTLFUCCGQMYJN-UHFFFAOYSA-N
MW384.83 g/mol
LogP3.97
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119529643) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119529643
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC NameN-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C19H19F3N2O.ClH/c20-19(21,22)15-8-4-7-14(11-15)18(9-10-18)17(25)24-12-16(23)13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,23H2,(H,24,25);1H
InChIKeyIXTLFUCCGQMYJN-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119617772
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid
CID 120540782
benzyl 2-[[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]amino]acetate
CID 60566825
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120614850
N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111459667

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119529643) is N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC(CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is IXTLFUCCGQMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O.ClH/c20-19(21,22)15-8-4-7-14(11-15)18(9-10-18)17(25)24-12-16(23)13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,23H2,(H,24,25);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 384.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119529643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).