2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C15H12BrClFNO2 — CID 86296544

IUPAC2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-13-6-5-9(7-12(13)18)8-19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyXKJUZJUZJDJUHW-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.18
Rot. Bonds4

About 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 86296544) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID86296544
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-13-6-5-9(7-12(13)18)8-19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyXKJUZJUZJDJUHW-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 86295295
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 86296544) is 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2c(Cl)cccc2Br)cc1F.
What is the InChIKey of 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is XKJUZJUZJDJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-21-13-6-5-9(7-12(13)18)8-19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 372.62 g/mol, XLogP of 4.18, 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-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 86296544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).