2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C15H20ClNO4 — CID 107301810

IUPAC2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC2(O)CCOC2C)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-4-12(16)13(7-10)21-8-14(18)17-9-15(19)5-6-20-11(15)2/h3-4,7,11,19H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyXVAPNYPJWDGWAN-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.68
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107301810) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107301810
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC2(O)CCOC2C)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-4-12(16)13(7-10)21-8-14(18)17-9-15(19)5-6-20-11(15)2/h3-4,7,11,19H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyXVAPNYPJWDGWAN-UHFFFAOYSA-N
XLogP1.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301912
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
CID 107302209
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107301836
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 107301824
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 107301847
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107301810) is 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is Cc1ccc(Cl)c(OCC(=O)NCC2(O)CCOC2C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is XVAPNYPJWDGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10-3-4-12(16)13(7-10)21-8-14(18)17-9-15(19)5-6-20-11(15)2/h3-4,7,11,19H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 313.78 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107301810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).