3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide

C14H13BrN2O2 — CID 106935938

IUPAC3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccncc2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-17(11-5-7-16-8-6-11)14(18)10-3-4-13(19-2)12(15)9-10/h3-9H,1-2H3
InChIKeyMYQBOPILHFCBKW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.13
Rot. Bonds3

About 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide

3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106935938) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
PubChem CID106935938
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccncc2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-17(11-5-7-16-8-6-11)14(18)10-3-4-13(19-2)12(15)9-10/h3-9H,1-2H3
InChIKeyMYQBOPILHFCBKW-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
CID 115190454
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide
CID 61033195
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide (CID 106935938) is 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide is COc1ccc(C(=O)N(C)c2ccncc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is MYQBOPILHFCBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(11-5-7-16-8-6-11)14(18)10-3-4-13(19-2)12(15)9-10/h3-9H,1-2H3.
What are the key properties of 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide?
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106935938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).