N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide

C14H20BrNO2 — CID 81003248

IUPACN-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H20BrNO2/c1-3-11-10-12(15)7-8-13(11)16-14(17)6-5-9-18-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyFALSZZLIQGNLHS-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.77
Rot. Bonds7

About N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide

N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide (PubChem CID 81003248) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
PubChem CID81003248
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H20BrNO2/c1-3-11-10-12(15)7-8-13(11)16-14(17)6-5-9-18-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyFALSZZLIQGNLHS-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
CID 112728062
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
4-bromo-2-(3-ethoxypropanoylamino)benzoic acid
CID 55091786
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
CID 81003703
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-ethoxypropanamide
CID 82703946
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide (CID 81003248) is N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide?
The InChIKey is FALSZZLIQGNLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-11-10-12(15)7-8-13(11)16-14(17)6-5-9-18-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide?
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide has a molecular weight of 314.22 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide is sourced from PubChem (CID 81003248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).