2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide

C15H13BrClNO2 — CID 86296545

IUPAC2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXJJOEQWXCONAFI-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide

2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 86296545) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID86296545
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXJJOEQWXCONAFI-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide (CID 86296545) is 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2c(Cl)cccc2Br)c1.
What is the InChIKey of 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is XJJOEQWXCONAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide?
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 86296545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).