4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide

C16H16BrNO2 — CID 78987526

IUPAC4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-8-7-12(17)9-15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyNOVDOCAYXKXDEH-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide

4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide (PubChem CID 78987526) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
PubChem CID78987526
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-8-7-12(17)9-15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyNOVDOCAYXKXDEH-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide (CID 78987526) is 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The InChIKey is NOVDOCAYXKXDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-8-7-12(17)9-15(13)20-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 78987526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).