N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide

C15H13BrFNO — CID 113244608

IUPACN-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-9-5-11(8-12(17)6-9)15(19)18-13-3-4-14(16)10(2)7-13/h3-8H,1-2H3,(H,18,19)
InChIKeyATDHWTFMFADNAF-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide

N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide (PubChem CID 113244608) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
PubChem CID113244608
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-9-5-11(8-12(17)6-9)15(19)18-13-3-4-14(16)10(2)7-13/h3-8H,1-2H3,(H,18,19)
InChIKeyATDHWTFMFADNAF-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide (CID 113244608) is N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is ATDHWTFMFADNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-5-11(8-12(17)6-9)15(19)18-13-3-4-14(16)10(2)7-13/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide?
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 113244608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).