4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide

C11H13BrFNO2 — CID 43090254

IUPAC4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-16-6-2-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyGSBYXMWSFJDNQO-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.35
Rot. Bonds5

About 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide

4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide (PubChem CID 43090254) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
PubChem CID43090254
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-16-6-2-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyGSBYXMWSFJDNQO-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide (CID 43090254) is 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is GSBYXMWSFJDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-16-6-2-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide?
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 43090254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).