N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide

C19H17ClN2O2 — CID 51187215

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H17ClN2O2/c20-16-9-7-14(8-10-16)19(13-5-6-13)22-18(23)12-24-17-4-2-1-3-15(17)11-21/h1-4,7-10,13,19H,5-6,12H2,(H,22,23)
InChIKeyFZYCPQSURURJGZ-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 51187215) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
PubChem CID51187215
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H17ClN2O2/c20-16-9-7-14(8-10-16)19(13-5-6-13)22-18(23)12-24-17-4-2-1-3-15(17)11-21/h1-4,7-10,13,19H,5-6,12H2,(H,22,23)
InChIKeyFZYCPQSURURJGZ-UHFFFAOYSA-N
XLogP3.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide (CID 51187215) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is FZYCPQSURURJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-16-9-7-14(8-10-16)19(13-5-6-13)22-18(23)12-24-17-4-2-1-3-15(17)11-21/h1-4,7-10,13,19H,5-6,12H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 51187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).