4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide

C15H13BrFNO2 — CID 115769609

IUPAC4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H13BrFNO2/c1-9-7-10(3-5-12(9)16)15(19)18-13-6-4-11(17)8-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJLZDSABRJOXNCO-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide

4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide (PubChem CID 115769609) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
PubChem CID115769609
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H13BrFNO2/c1-9-7-10(3-5-12(9)16)15(19)18-13-6-4-11(17)8-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJLZDSABRJOXNCO-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
CID 137374056

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide (CID 115769609) is 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide is COc1cc(F)ccc1NC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide?
The InChIKey is JLZDSABRJOXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-7-10(3-5-12(9)16)15(19)18-13-6-4-11(17)8-14(13)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide?
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 115769609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).