1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

C17H24BrClN2O — CID 119452370

IUPAC1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)16(21)20-15-7-10-19-12-15;/h4-6,11,15,19H,1-3,7-10,12H2,(H,20,21);1H
InChIKeyPZUNLKFEMCGPQP-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.55
Rot. Bonds3

About 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119452370) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119452370
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)16(21)20-15-7-10-19-12-15;/h4-6,11,15,19H,1-3,7-10,12H2,(H,20,21);1H
InChIKeyPZUNLKFEMCGPQP-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
CID 119457804
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (CID 119452370) is 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PZUNLKFEMCGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)16(21)20-15-7-10-19-12-15;/h4-6,11,15,19H,1-3,7-10,12H2,(H,20,21);1H.
What are the key properties of 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119452370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).