2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C14H19Cl2NO2 — CID 103750934

IUPAC2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)13(5-6-18)17-14(19)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13,18H,5-7H2,1-2H3,(H,17,19)
InChIKeyJXNQTZIJQIKPDM-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.06
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103750934) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103750934
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)13(5-6-18)17-14(19)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13,18H,5-7H2,1-2H3,(H,17,19)
InChIKeyJXNQTZIJQIKPDM-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
3-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentan-1-ol
CID 104854271
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103750934) is 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is CC(C)C(CCO)NC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is JXNQTZIJQIKPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-9(2)13(5-6-18)17-14(19)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13,18H,5-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 304.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103750934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).