1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H19BrN2O — CID 75833581

IUPAC1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-16(2)14(18)13-8-5-9-17(13)10-11-6-3-4-7-12(11)15/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyKJFLZEOBMCXZQH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.50
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 75833581) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID75833581
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-16(2)14(18)13-8-5-9-17(13)10-11-6-3-4-7-12(11)15/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyKJFLZEOBMCXZQH-UHFFFAOYSA-N
XLogP2.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575439
1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 103349926
N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 142232803
1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110882396
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
1-[(2-bromophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371953
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 75833581) is 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KJFLZEOBMCXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-16(2)14(18)13-8-5-9-17(13)10-11-6-3-4-7-12(11)15/h3-4,6-7,13H,5,8-10H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75833581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).