N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide

C19H19ClN2O2 — CID 31949619

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(11-12-24-18-4-2-3-17(20)13-18)19(23)10-9-15-5-7-16(14-21)8-6-15/h2-8,13H,9-12H2,1H3
InChIKeyTXLRXZRBIGSONK-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide

N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide (PubChem CID 31949619) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
PubChem CID31949619
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(11-12-24-18-4-2-3-17(20)13-18)19(23)10-9-15-5-7-16(14-21)8-6-15/h2-8,13H,9-12H2,1H3
InChIKeyTXLRXZRBIGSONK-UHFFFAOYSA-N
XLogP3.68
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
CID 112803756
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
N-[(4-cyanophenyl)methyl]-N-methyl-4-(3-methylphenoxy)butanamide
CID 39858840
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide (CID 31949619) is N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide is CN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The InChIKey is TXLRXZRBIGSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22(11-12-24-18-4-2-3-17(20)13-18)19(23)10-9-15-5-7-16(14-21)8-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide?
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide has a molecular weight of 342.83 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide is sourced from PubChem (CID 31949619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).