2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide

C15H15BrN2O — CID 103853024

IUPAC2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccncc2)c1Br
InChIInChI=1S/C15H15BrN2O/c1-11-4-3-5-13(14(11)16)15(19)18(2)10-12-6-8-17-9-7-12/h3-9H,10H2,1-2H3
InChIKeyGXHBPYHLKMNHQG-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.42
Rot. Bonds3

About 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide

2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 103853024) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID103853024
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccncc2)c1Br
InChIInChI=1S/C15H15BrN2O/c1-11-4-3-5-13(14(11)16)15(19)18(2)10-12-6-8-17-9-7-12/h3-9H,10H2,1-2H3
InChIKeyGXHBPYHLKMNHQG-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N,3-dimethylbenzamide
CID 107982240
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide (CID 103853024) is 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide is Cc1cccc(C(=O)N(C)Cc2ccncc2)c1Br.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GXHBPYHLKMNHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-4-3-5-13(14(11)16)15(19)18(2)10-12-6-8-17-9-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 103853024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).