N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide

C20H27BrN2O — CID 119457804

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C20H27BrN2O/c21-15-6-4-5-14(11-15)20(9-2-1-3-10-20)19(24)23-18-12-16-7-8-17(13-18)22-16/h4-6,11,16-18,22H,1-3,7-10,12-13H2,(H,23,24)
InChIKeyBNEHOHHGMIOHEU-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.05
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide (PubChem CID 119457804) has the molecular formula C20H27BrN2O and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
PubChem CID119457804
Molecular FormulaC20H27BrN2O
Molecular Weight391.35 g/mol
Exact Mass390.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C20H27BrN2O/c21-15-6-4-5-14(11-15)20(9-2-1-3-10-20)19(24)23-18-12-16-7-8-17(13-18)22-16/h4-6,11,16-18,22H,1-3,7-10,12-13H2,(H,23,24)
InChIKeyBNEHOHHGMIOHEU-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119455788
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide (CID 119457804) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide is O=C(NC1CC2CCC(C1)N2)C1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide?
The InChIKey is BNEHOHHGMIOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O/c21-15-6-4-5-14(11-15)20(9-2-1-3-10-20)19(24)23-18-12-16-7-8-17(13-18)22-16/h4-6,11,16-18,22H,1-3,7-10,12-13H2,(H,23,24).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119457804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).