N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide

C15H13BrFNO — CID 104779493

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

About N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide

N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide (PubChem CID 104779493) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
PubChem CID104779493
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-9-5-10(2)7-11(6-9)15(19)18-12-3-4-14(17)13(16)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyJDDLLTWRGIGNFB-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-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide (CID 104779493) is N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide?
The InChIKey is JDDLLTWRGIGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-5-10(2)7-11(6-9)15(19)18-12-3-4-14(17)13(16)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide?
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide 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-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 104779493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).