9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H26BrClN2O — CID 120990587

IUPAC9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC1(c3cccc(Br)c3)CC1)C2
InChIInChI=1S/C19H25BrN2O.ClH/c20-16-6-2-5-15(11-16)19(7-8-19)22-18(23)14-9-12-3-1-4-13(10-14)17(12)21;/h2,5-6,11-14,17H,1,3-4,7-10,21H2,(H,22,23);1H
InChIKeyXXWNGGDQJJOGLZ-UHFFFAOYSA-N
MW413.79 g/mol
LogP4.13
Rot. Bonds3

About 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120990587) has the molecular formula C19H26BrClN2O and a molecular weight of 413.79 g/mol. Its IUPAC name is 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120990587
Molecular FormulaC19H26BrClN2O
Molecular Weight413.79 g/mol
Exact Mass412.09
IUPAC Name9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC1(c3cccc(Br)c3)CC1)C2
InChIInChI=1S/C19H25BrN2O.ClH/c20-16-6-2-5-15(11-16)19(7-8-19)22-18(23)14-9-12-3-1-4-13(10-14)17(12)21;/h2,5-6,11-14,17H,1,3-4,7-10,21H2,(H,22,23);1H
InChIKeyXXWNGGDQJJOGLZ-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988072
cis-(1R,2S)-N-[1-(3-bromophenyl)cyclopropyl]-2-nitrocyclopropane-1-carboxamide
CID 95774951
trans-(1R,2R)-N-[4-(3-bromophenyl)oxan-4-yl]-2-cyclopropylcyclopropane-1-carboxamide
CID 97010988
N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800393
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412
(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95580520
3-amino-N-(1-phenylcyclopentyl)cyclohexane-1-carboxamide
CID 119786235
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
N-[4-(3-bromophenyl)oxan-4-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 138997374
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120990587) is 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NC1(c3cccc(Br)c3)CC1)C2.
What is the InChIKey of 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is XXWNGGDQJJOGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O.ClH/c20-16-6-2-5-15(11-16)19(7-8-19)22-18(23)14-9-12-3-1-4-13(10-14)17(12)21;/h2,5-6,11-14,17H,1,3-4,7-10,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 413.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120990587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).