4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide

C14H17BrFNO — CID 103741352

IUPAC4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
SMILESCCC1(CNC(=O)c2ccc(Br)cc2F)CCC1
InChIInChI=1S/C14H17BrFNO/c1-2-14(6-3-7-14)9-17-13(18)11-5-4-10(15)8-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyPMYMICXCIJOFRM-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.90
Rot. Bonds4

About 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide

4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide (PubChem CID 103741352) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
PubChem CID103741352
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
SMILESCCC1(CNC(=O)c2ccc(Br)cc2F)CCC1
InChIInChI=1S/C14H17BrFNO/c1-2-14(6-3-7-14)9-17-13(18)11-5-4-10(15)8-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyPMYMICXCIJOFRM-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
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4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
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N-[(1-ethylcyclobutyl)methyl]-2,5-difluoro-4-nitrobenzamide
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N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
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4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
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2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
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2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
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2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide (CID 103741352) is 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide is CCC1(CNC(=O)c2ccc(Br)cc2F)CCC1.
What is the InChIKey of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide?
The InChIKey is PMYMICXCIJOFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-2-14(6-3-7-14)9-17-13(18)11-5-4-10(15)8-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide?
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide has a molecular weight of 314.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 103741352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).