3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide

C16H15BrFNO — CID 81472463

IUPAC3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C16H15BrFNO/c1-11-6-7-13(10-14(11)17)16(20)19-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyCLNFTXYBTIGUJK-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide

3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide (PubChem CID 81472463) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
PubChem CID81472463
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C16H15BrFNO/c1-11-6-7-13(10-14(11)17)16(20)19-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyCLNFTXYBTIGUJK-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103951657
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
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4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
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CID 8636623
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CID 79749765
3-fluoro-N-[2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111362993
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
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4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
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CID 8643346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide (CID 81472463) is 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccccc2F)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide?
The InChIKey is CLNFTXYBTIGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-6-7-13(10-14(11)17)16(20)19-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide?
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 81472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).