4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide

C16H21Cl2NO3 — CID 17330428

IUPAC4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCOc1ccc(Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-11(14-4-2-8-21-14)19-16(20)5-3-9-22-15-7-6-12(17)10-13(15)18/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyBZNQFWWWZWITEL-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.84
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide

4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide (PubChem CID 17330428) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
PubChem CID17330428
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCOc1ccc(Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-11(14-4-2-8-21-14)19-16(20)5-3-9-22-15-7-6-12(17)10-13(15)18/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyBZNQFWWWZWITEL-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide 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

(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
1-[4-(2,4-dichlorophenoxy)butanoylamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7470120
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 42562997

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide (CID 17330428) is 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide is CC(NC(=O)CCCOc1ccc(Cl)cc1Cl)C1CCCO1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is BZNQFWWWZWITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-11(14-4-2-8-21-14)19-16(20)5-3-9-22-15-7-6-12(17)10-13(15)18/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 346.25 g/mol, XLogP of 3.84, 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-[1-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 17330428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).