3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide

C15H13BrFNO — CID 113244776

IUPAC3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-10-4-3-5-12(8-10)18(2)15(19)11-6-7-14(17)13(16)9-11/h3-9H,1-2H3
InChIKeyYZBPVWGVPPWISL-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide

3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide (PubChem CID 113244776) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
PubChem CID113244776
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-10-4-3-5-12(8-10)18(2)15(19)11-6-7-14(17)13(16)9-11/h3-9H,1-2H3
InChIKeyYZBPVWGVPPWISL-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
CID 62175774
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide (CID 113244776) is 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(N(C)C(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is YZBPVWGVPPWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-4-3-5-12(8-10)18(2)15(19)11-6-7-14(17)13(16)9-11/h3-9H,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 322.18 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 113244776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).