2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide

C16H15BrClNO3 — CID 78851822

IUPAC2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(Cl)ccc2Br)c1OC
InChIInChI=1S/C16H15BrClNO3/c1-21-14-5-3-4-10(15(14)22-2)9-19-16(20)12-8-11(18)6-7-13(12)17/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGKVQQQFVKNXATQ-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.05
Rot. Bonds5

About 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide

2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide (PubChem CID 78851822) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
PubChem CID78851822
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(Cl)ccc2Br)c1OC
InChIInChI=1S/C16H15BrClNO3/c1-21-14-5-3-4-10(15(14)22-2)9-19-16(20)12-8-11(18)6-7-13(12)17/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGKVQQQFVKNXATQ-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide (CID 78851822) is 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cc(Cl)ccc2Br)c1OC.
What is the InChIKey of 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide?
The InChIKey is GKVQQQFVKNXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-21-14-5-3-4-10(15(14)22-2)9-19-16(20)12-8-11(18)6-7-13(12)17/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide?
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide has a molecular weight of 384.66 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 78851822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).