4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide

C13H17Cl2NO3 — CID 646152

IUPAC4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCO
InChIInChI=1S/C13H17Cl2NO3/c14-10-4-5-12(11(15)9-10)19-8-1-3-13(18)16-6-2-7-17/h4-5,9,17H,1-3,6-8H2,(H,16,18)
InChIKeyCXYFETMHLHCWMN-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.65
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide (PubChem CID 646152) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide
PubChem CID646152
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCO
InChIInChI=1S/C13H17Cl2NO3/c14-10-4-5-12(11(15)9-10)19-8-1-3-13(18)16-6-2-7-17/h4-5,9,17H,1-3,6-8H2,(H,16,18)
InChIKeyCXYFETMHLHCWMN-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-DB dimethylammonium
CID 62462
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2843381
4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide
CID 2838813
4-(2,4-dichlorophenoxy)-N-isopropylbutanamide
CID 2057520
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 4995082
2-(2,4-dichlorophenoxy)-N-ethylpropanamide
CID 2912929
2-[2-(2,4-Dichlorophenoxy)acetylamino]butanedioic acid
CID 595723
4-(2,4-Dichlorophenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 2056145
N-(2-(2,4-Dichlorophenoxy)acetyl)-L-aspartic acid
CID 37062
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
CID 2862042
4-(2,4-dichlorophenoxy)-N-ethylbutanamide
CID 2227571

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide (CID 646152) is 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCCO.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide?
The InChIKey is CXYFETMHLHCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c14-10-4-5-12(11(15)9-10)19-8-1-3-13(18)16-6-2-7-17/h4-5,9,17H,1-3,6-8H2,(H,16,18).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide has a molecular weight of 306.19 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 646152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).