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

C16H16BrNO2 — CID 802608

IUPAC5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-9-12(17)7-8-15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRHCKQOQKLQGVDH-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide

5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide (PubChem CID 802608) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
PubChem CID802608
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-9-12(17)7-8-15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRHCKQOQKLQGVDH-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

Benzofurane-7-carboxamide, 2,3-dihydro-5-bromo-N-(3-trifluoromethylphenyl)-
CID 614539
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
2-methoxy-N-(2-naphthyl)benzamide
CID 755757
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795568
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
CID 953794
N-(4-Bromophenyl)-4-oxo-4H-chromene-3-carboxamide
CID 139087191
N-(3-bromophenyl)-4-oxochromene-3-carboxamide
CID 139087386
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(2-bromophenyl)-4-oxochromene-3-carboxamide
CID 155568351
[2-[(4-bromophenyl)carbamoyl]phenyl] Acetate
CID 3363736
N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
CID 5738109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide (CID 802608) is 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
The InChIKey is RHCKQOQKLQGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-5-4-6-14(11(10)2)18-16(19)13-9-12(17)7-8-15(13)20-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide?
5-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 5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 802608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).