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

C15H13BrFNO — CID 79467031

IUPAC3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-3-4-11(9-14(10)16)15(19)18(2)13-7-5-12(17)6-8-13/h3-9H,1-2H3
InChIKeyPXSOTWJPASCSFS-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.17
Rot. Bonds2

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

3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide (PubChem CID 79467031) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
PubChem CID79467031
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-3-4-11(9-14(10)16)15(19)18(2)13-7-5-12(17)6-8-13/h3-9H,1-2H3
InChIKeyPXSOTWJPASCSFS-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-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide (CID 79467031) is 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide?
The InChIKey is PXSOTWJPASCSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-3-4-11(9-14(10)16)15(19)18(2)13-7-5-12(17)6-8-13/h3-9H,1-2H3.
What are the key properties of 3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide?
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide 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-N-(4-fluorophenyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 79467031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).