3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide

C17H17BrFNO — CID 81459565

IUPAC3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)c(F)c(C)c2)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-10-4-5-14(8-15(10)18)17(21)20-9-13-6-11(2)16(19)12(3)7-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHEZBXTINIXAMQB-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.44
Rot. Bonds3

About 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide

3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide (PubChem CID 81459565) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide
PubChem CID81459565
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)c(F)c(C)c2)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-10-4-5-14(8-15(10)18)17(21)20-9-13-6-11(2)16(19)12(3)7-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHEZBXTINIXAMQB-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
N-[(4-aminophenyl)methyl]-3-bromo-4-methylbenzamide
CID 81470387
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103747290
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide (CID 81459565) is 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(C)c(F)c(C)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide?
The InChIKey is HEZBXTINIXAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-10-4-5-14(8-15(10)18)17(21)20-9-13-6-11(2)16(19)12(3)7-13/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide?
3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 81459565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).