1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide

C17H23BrN2O — CID 119551309

IUPAC1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2cccc(Br)c2)CCCC1)C1CCNC1
InChIInChI=1S/C17H23BrN2O/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13/h4-6,11,15,19H,2-3,7-10,12H2,1H3
InChIKeyQJAIWOAJRHKCOT-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide

1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide (PubChem CID 119551309) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
PubChem CID119551309
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2cccc(Br)c2)CCCC1)C1CCNC1
InChIInChI=1S/C17H23BrN2O/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13/h4-6,11,15,19H,2-3,7-10,12H2,1H3
InChIKeyQJAIWOAJRHKCOT-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
CID 87025793
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119552349
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119551708
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide (CID 119551309) is 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide is CN(C(=O)C1(c2cccc(Br)c2)CCCC1)C1CCNC1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The InChIKey is QJAIWOAJRHKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13/h4-6,11,15,19H,2-3,7-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 119551309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).