3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide

C15H21Cl2NO3 — CID 111447156

IUPAC3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3/c1-10(7-11(2)19)9-18-15(20)5-6-21-14-4-3-12(16)8-13(14)17/h3-4,8,10-11,19H,5-7,9H2,1-2H3,(H,18,20)
InChIKeyKIHTXOJWOKOATO-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.29
Rot. Bonds8

About 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide

3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide (PubChem CID 111447156) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
PubChem CID111447156
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3/c1-10(7-11(2)19)9-18-15(20)5-6-21-14-4-3-12(16)8-13(14)17/h3-4,8,10-11,19H,5-7,9H2,1-2H3,(H,18,20)
InChIKeyKIHTXOJWOKOATO-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
N-(3-amino-2-methylpropyl)-3-(4-chloro-2-nitrophenoxy)propanamide
CID 119995399
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide (CID 111447156) is 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide is CC(O)CC(C)CNC(=O)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide?
The InChIKey is KIHTXOJWOKOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-10(7-11(2)19)9-18-15(20)5-6-21-14-4-3-12(16)8-13(14)17/h3-4,8,10-11,19H,5-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide?
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide has a molecular weight of 334.24 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide is sourced from PubChem (CID 111447156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).