4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

C14H19Cl2NO3 — CID 2244633

IUPAC4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCC(C)(CO)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-14(2,9-18)17-13(19)4-3-7-20-12-6-5-10(15)8-11(12)16/h5-6,8,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVJKPSUQSFWCQJP-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.04
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (PubChem CID 2244633) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
PubChem CID2244633
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCC(C)(CO)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-14(2,9-18)17-13(19)4-3-7-20-12-6-5-10(15)8-11(12)16/h5-6,8,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVJKPSUQSFWCQJP-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.04
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

(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 69117064
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-(3-hydroxypropyl)butanamide
CID 646152
4-(2,4-dichlorophenoxy)-N-isopropylbutanamide
CID 2057520
Fenoxanil
CID 11262655
4-(2,4-dichlorophenoxy)-N-ethylbutanamide
CID 2227571
(2S)-2-amino-6-[4-(2,4-dichlorophenoxy)butanoylamino]hexanoic acid
CID 76330035
1-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-cyclopentanecarboxylic acid amide
CID 44313877
N-[2-(4-Chlorophenoxy)-1,1-dimethylethyl]acetamide
CID 547421
N-cyclohexyl-4-(2,4-dichlorophenoxy)butanamide
CID 1628370
4-(2,4-dichlorophenoxy)-N-hydroxybutanamide
CID 2870348

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (CID 2244633) is 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is CC(C)(CO)NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The InChIKey is VJKPSUQSFWCQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-14(2,9-18)17-13(19)4-3-7-20-12-6-5-10(15)8-11(12)16/h5-6,8,18H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
4-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide has a molecular weight of 320.22 g/mol, XLogP of 3.04, 7 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-(1-hydroxy-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 2244633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).