2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H18BrFN2O — CID 79318747

IUPAC2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(17)9-18(2)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyMPLOOUAMPFIHCE-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.75
Rot. Bonds3

About 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 79318747) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID79318747
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(17)9-18(2)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyMPLOOUAMPFIHCE-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79313807
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406
5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide
CID 24743426
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
2-hydroxy-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79319088
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
CID 45170761
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 79318747) is 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CN(CC1CCCN1C)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is MPLOOUAMPFIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(17)9-18(2)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 79318747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).