2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide

C16H16BrNO2 — CID 103853420

IUPAC2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-11-7-6-8-12(15(11)17)16(19)18(2)13-9-4-5-10-14(13)20-3/h4-10H,1-3H3
InChIKeyUZYHSPMUFHKECM-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide

2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide (PubChem CID 103853420) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
PubChem CID103853420
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-11-7-6-8-12(15(11)17)16(19)18(2)13-9-4-5-10-14(13)20-3/h4-10H,1-3H3
InChIKeyUZYHSPMUFHKECM-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027611
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879
3-fluoro-2-hydrazinyl-N-(2-methoxyphenyl)-N-methylbenzamide
CID 62661140
5-bromo-4-chloro-2-hydroxy-N-(2-methoxyphenyl)-N-methylbenzamide
CID 68602584
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
5-amino-2-methoxy-N-methyl-N-(2-methylphenyl)benzamide
CID 62002550
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide (CID 103853420) is 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide is COc1ccccc1N(C)C(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide?
The InChIKey is UZYHSPMUFHKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-7-6-8-12(15(11)17)16(19)18(2)13-9-4-5-10-14(13)20-3/h4-10H,1-3H3.
What are the key properties of 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide?
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 103853420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).