2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide

C12H14ClNO3 — CID 115764690

IUPAC2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CO)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16)
InChIKeyDHQWGRCUFUTAQQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide

2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide (PubChem CID 115764690) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
PubChem CID115764690
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CO)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16)
InChIKeyDHQWGRCUFUTAQQ-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877823
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62526654
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide (CID 115764690) is 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide is O=C(COc1ccc(Cl)cc1)NC1(CO)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The InChIKey is DHQWGRCUFUTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide has a molecular weight of 255.70 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide is sourced from PubChem (CID 115764690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).