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

C15H12BrClFNO2 — CID 90720348

IUPAC3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide
SMILESCOc1c(F)cccc1CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrClFNO2/c1-21-14-10(3-2-4-13(14)18)8-19-15(20)9-5-6-12(17)11(16)7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyURXUPOYEYIGMMW-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.18
Rot. Bonds4

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

3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide (PubChem CID 90720348) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide
PubChem CID90720348
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide
SMILESCOc1c(F)cccc1CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrClFNO2/c1-21-14-10(3-2-4-13(14)18)8-19-15(20)9-5-6-12(17)11(16)7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyURXUPOYEYIGMMW-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

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CID 107999117
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CID 81307450
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
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CID 103841720
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
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CID 91246387

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide (CID 90720348) is 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide is COc1c(F)cccc1CNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide?
The InChIKey is URXUPOYEYIGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-21-14-10(3-2-4-13(14)18)8-19-15(20)9-5-6-12(17)11(16)7-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide?
3-bromo-4-chloro-N-[(3-fluoro-2-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 3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 90720348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).