3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride

C18H18ClF3N2O — CID 119772767

IUPAC3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C18H17F3N2O.ClH/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)11-23-16(24)12-3-1-6-15(22)9-12;/h1-6,9-10H,7-8,11,22H2,(H,23,24);1H
InChIKeyGOKNPCVXSKSLJA-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.17
Rot. Bonds4

About 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride

3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride (PubChem CID 119772767) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
PubChem CID119772767
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C18H17F3N2O.ClH/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)11-23-16(24)12-3-1-6-15(22)9-12;/h1-6,9-10H,7-8,11,22H2,(H,23,24);1H
InChIKeyGOKNPCVXSKSLJA-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
CID 154834670
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride (CID 119772767) is 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride?
The InChIKey is GOKNPCVXSKSLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O.ClH/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)11-23-16(24)12-3-1-6-15(22)9-12;/h1-6,9-10H,7-8,11,22H2,(H,23,24);1H.
What are the key properties of 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride?
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride has a molecular weight of 370.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).