2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

C13H15Cl2NO2 — CID 80711817

IUPAC2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(15)9(10)6-12(18)16-7-13(8-17)4-5-13/h1-3,17H,4-8H2,(H,16,18)
InChIKeyJOLRQHLJHDBCAB-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.42
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 80711817) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
PubChem CID80711817
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(15)9(10)6-12(18)16-7-13(8-17)4-5-13/h1-3,17H,4-8H2,(H,16,18)
InChIKeyJOLRQHLJHDBCAB-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313079
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 97276008
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 114758143

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (CID 80711817) is 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is O=C(Cc1c(Cl)cccc1Cl)NCC1(CO)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is JOLRQHLJHDBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(15)9(10)6-12(18)16-7-13(8-17)4-5-13/h1-3,17H,4-8H2,(H,16,18).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 288.17 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 80711817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).