4-(2,4-dichlorophenoxy)-N-ethoxybutanamide

C12H15Cl2NO3 — CID 52540404

IUPAC4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
SMILESCCONC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyDXVOEQNDMZXMFD-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.22
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide

4-(2,4-dichlorophenoxy)-N-ethoxybutanamide (PubChem CID 52540404) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
PubChem CID52540404
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
SMILESCCONC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyDXVOEQNDMZXMFD-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
1-tert-butyl-3-[4-(2,4-dichlorophenoxy)butanoylamino]thiourea
CID 9425938
ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-1,3-thiazole-4-carboxylate
CID 55333613
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide (CID 52540404) is 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide is CCONC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide?
The InChIKey is DXVOEQNDMZXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-2-18-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide?
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide has a molecular weight of 292.16 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-ethoxybutanamide is sourced from PubChem (CID 52540404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).