3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C17H24BrClN2O — CID 119786274

IUPAC3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(c3cccc(Br)c3)CC2)C1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-5-2-4-13(10-14)17(7-8-17)11-20-16(21)12-3-1-6-15(19)9-12;/h2,4-5,10,12,15H,1,3,6-9,11,19H2,(H,20,21);1H
InChIKeyFHHDSLVOTXQHRB-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119786274) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119786274
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(c3cccc(Br)c3)CC2)C1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-5-2-4-13(10-14)17(7-8-17)11-20-16(21)12-3-1-6-15(19)9-12;/h2,4-5,10,12,15H,1,3,6-9,11,19H2,(H,20,21);1H
InChIKeyFHHDSLVOTXQHRB-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
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CID 47060857
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119768583
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
N-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]-3-bromobenzamide
CID 119765634
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119786274) is 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCC2(c3cccc(Br)c3)CC2)C1.
What is the InChIKey of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FHHDSLVOTXQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c18-14-5-2-4-13(10-14)17(7-8-17)11-20-16(21)12-3-1-6-15(19)9-12;/h2,4-5,10,12,15H,1,3,6-9,11,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 3.54, 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-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119786274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).