2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C15H20ClNO3 — CID 114751110

IUPAC2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(OCC(=O)NCC2(CCO)CC2)ccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-11-8-12(2-3-13(11)16)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyCBABUISXNSXFNQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.31
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751110) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751110
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(OCC(=O)NCC2(CCO)CC2)ccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-11-8-12(2-3-13(11)16)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyCBABUISXNSXFNQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(2,4-dichlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751365
1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756306
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751462
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751110) is 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is Cc1cc(OCC(=O)NCC2(CCO)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is CBABUISXNSXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-8-12(2-3-13(11)16)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).