3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide

C16H16BrNO3 — CID 62001887

IUPAC3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-18(12-5-7-13(20-2)8-6-12)16(19)11-4-9-15(21-3)14(17)10-11/h4-10H,1-3H3
InChIKeyIVFUOCVKBSXIFO-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.74
Rot. Bonds4

About 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide

3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide (PubChem CID 62001887) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
PubChem CID62001887
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-18(12-5-7-13(20-2)8-6-12)16(19)11-4-9-15(21-3)14(17)10-11/h4-10H,1-3H3
InChIKeyIVFUOCVKBSXIFO-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
CID 115190454
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
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-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
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-(4-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide (CID 62001887) is 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide is COc1ccc(N(C)C(=O)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide?
The InChIKey is IVFUOCVKBSXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-18(12-5-7-13(20-2)8-6-12)16(19)11-4-9-15(21-3)14(17)10-11/h4-10H,1-3H3.
What are the key properties of 3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide?
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide has a molecular weight of 350.21 g/mol, XLogP of 3.74, 4 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-(4-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 62001887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).