N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide

C16H16BrNO3 — CID 26524219

IUPACN-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C16H16BrNO3/c1-10-7-8-13(12(17)9-10)18-16(19)11-5-4-6-14(20-2)15(11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRYFRQHZYRPFART-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide

N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide (PubChem CID 26524219) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
PubChem CID26524219
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C16H16BrNO3/c1-10-7-8-13(12(17)9-10)18-16(19)11-5-4-6-14(20-2)15(11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRYFRQHZYRPFART-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
CID 40996274
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 54784469
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide (CID 26524219) is N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(C)cc2Br)c1OC.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide?
The InChIKey is RYFRQHZYRPFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-7-8-13(12(17)9-10)18-16(19)11-5-4-6-14(20-2)15(11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide?
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 26524219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).