2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide

C16H19ClN2O2 — CID 17468407

IUPAC2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1(C#N)CCCCC1
InChIInChI=1S/C16H19ClN2O2/c1-19(16(12-18)8-3-2-4-9-16)15(20)11-21-14-7-5-6-13(17)10-14/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPANXXBCLEANKCP-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 17468407) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID17468407
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1(C#N)CCCCC1
InChIInChI=1S/C16H19ClN2O2/c1-19(16(12-18)8-3-2-4-9-16)15(20)11-21-14-7-5-6-13(17)10-14/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPANXXBCLEANKCP-UHFFFAOYSA-N
XLogP3.40
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
CID 51173400
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 7382488
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
N-(1-cyanocyclohexyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 7870610
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253937
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351902
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850961
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-ethylbenzoate
CID 7364838

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 17468407) is 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)COc1cccc(Cl)c1)C1(C#N)CCCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is PANXXBCLEANKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-19(16(12-18)8-3-2-4-9-16)15(20)11-21-14-7-5-6-13(17)10-14/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 306.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 17468407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).