N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide

C12H15BrN2O — CID 110859688

IUPACN-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrN2O/c1-15-7-6-9(8-15)12(16)14-11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyLKYULYUYBXUBSE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.34
Rot. Bonds2

About N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide

N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 110859688) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID110859688
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrN2O/c1-15-7-6-9(8-15)12(16)14-11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyLKYULYUYBXUBSE-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
N-(2-bromo-3-methylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrrolidine-3-carboxamide
CID 115274941
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide (CID 110859688) is N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is LKYULYUYBXUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-15-7-6-9(8-15)12(16)14-11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16).
What are the key properties of N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide?
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110859688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).