2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide

C13H17Cl2NO3 — CID 97096056

IUPAC2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
SMILESCC[C@H](O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-10(17)5-6-16-13(18)8-19-12-4-3-9(14)7-11(12)15/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyZARUYKITPGCOAJ-JTQLQIEISA-N
MW306.19 g/mol
LogP2.65
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide (PubChem CID 97096056) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
PubChem CID97096056
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
SMILESCC[C@H](O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-10(17)5-6-16-13(18)8-19-12-4-3-9(14)7-11(12)15/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyZARUYKITPGCOAJ-JTQLQIEISA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726307
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide (CID 97096056) is 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide is CC[C@H](O)CCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide?
The InChIKey is ZARUYKITPGCOAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-2-10(17)5-6-16-13(18)8-19-12-4-3-9(14)7-11(12)15/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide has a molecular weight of 306.19 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide is sourced from PubChem (CID 97096056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).