N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide

C12H15BrFNO2 — CID 103753688

IUPACN-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-4-12(16)15-11-8-9(14)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyYYZRNILKOUJPQY-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.34
Rot. Bonds6

About N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide

N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide (PubChem CID 103753688) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
PubChem CID103753688
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-4-12(16)15-11-8-9(14)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyYYZRNILKOUJPQY-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

2-(4-ethoxybutanoylamino)-4-fluorobenzoic acid
CID 78980396
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
CID 79116971
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
CID 103753613
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide (CID 103753688) is N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide?
The InChIKey is YYZRNILKOUJPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-17-7-3-4-12(16)15-11-8-9(14)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide?
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide has a molecular weight of 304.16 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide is sourced from PubChem (CID 103753688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).