4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide

C12H15BrFNO2 — CID 24691532

IUPAC4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
SMILESCCOCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(13)8-11(10)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyIAWQBNHDNYEVGO-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.74
Rot. Bonds6

About 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide

4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide (PubChem CID 24691532) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
PubChem CID24691532
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
SMILESCCOCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(13)8-11(10)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyIAWQBNHDNYEVGO-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.74
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-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide (CID 24691532) is 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide is CCOCCCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide?
The InChIKey is IAWQBNHDNYEVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(13)8-11(10)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide?
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide is sourced from PubChem (CID 24691532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).