4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide

C21H23Cl2NO4 — CID 17170185

IUPAC4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C21H23Cl2NO4/c22-15-9-10-19(17(23)13-15)27-12-4-8-21(25)24-18-6-1-2-7-20(18)28-14-16-5-3-11-26-16/h1-2,6-7,9-10,13,16H,3-5,8,11-12,14H2,(H,24,25)
InChIKeyZGQKMJUFZMMXNQ-UHFFFAOYSA-N
MW424.32 g/mol
LogP5.35
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 17170185) has the molecular formula C21H23Cl2NO4 and a molecular weight of 424.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID17170185
Molecular FormulaC21H23Cl2NO4
Molecular Weight424.32 g/mol
Exact Mass423.10
IUPAC Name4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C21H23Cl2NO4/c22-15-9-10-19(17(23)13-15)27-12-4-8-21(25)24-18-6-1-2-7-20(18)28-14-16-5-3-11-26-16/h1-2,6-7,9-10,13,16H,3-5,8,11-12,14H2,(H,24,25)
InChIKeyZGQKMJUFZMMXNQ-UHFFFAOYSA-N
XLogP5.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.32
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]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

4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
1-[4-(2,4-dichlorophenoxy)butanoylamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7470120
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 17170185) is 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is ZGQKMJUFZMMXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO4/c22-15-9-10-19(17(23)13-15)27-12-4-8-21(25)24-18-6-1-2-7-20(18)28-14-16-5-3-11-26-16/h1-2,6-7,9-10,13,16H,3-5,8,11-12,14H2,(H,24,25).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 424.32 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 17170185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).