2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide

C13H18ClNO3 — CID 113389961

IUPAC2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyVNWXKTGTFMORCQ-VIFPVBQESA-N
MW271.74 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide

2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide (PubChem CID 113389961) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
PubChem CID113389961
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyVNWXKTGTFMORCQ-VIFPVBQESA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide (CID 113389961) is 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide?
The InChIKey is VNWXKTGTFMORCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide?
2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide has a molecular weight of 271.74 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 113389961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).