5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide

C14H15BrN2O — CID 103722044

IUPAC5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccn(C)c1
InChIInChI=1S/C14H15BrN2O/c1-10-3-4-12(15)7-13(10)14(18)16-8-11-5-6-17(2)9-11/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyLPKCLGWCINZTRE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide

5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide (PubChem CID 103722044) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
PubChem CID103722044
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccn(C)c1
InChIInChI=1S/C14H15BrN2O/c1-10-3-4-12(15)7-13(10)14(18)16-8-11-5-6-17(2)9-11/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyLPKCLGWCINZTRE-UHFFFAOYSA-N
XLogP3.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721969
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
CID 103722013
6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103722339
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzamide
CID 106547494
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide (CID 103722044) is 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide is Cc1ccc(Br)cc1C(=O)NCc1ccn(C)c1.
What is the InChIKey of 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The InChIKey is LPKCLGWCINZTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-3-4-12(15)7-13(10)14(18)16-8-11-5-6-17(2)9-11/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide has a molecular weight of 307.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide is sourced from PubChem (CID 103722044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).