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

C16H13ClN2O2 — CID 2565510

IUPACN-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-14-7-5-12(6-8-14)10-19-16(20)11-21-15-4-2-1-3-13(15)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyNODNOEMKOMMKPE-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.91
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 2565510) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
PubChem CID2565510
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-14-7-5-12(6-8-14)10-19-16(20)11-21-15-4-2-1-3-13(15)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyNODNOEMKOMMKPE-UHFFFAOYSA-N
XLogP2.91
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
CID 51187215

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide (CID 2565510) is N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is NODNOEMKOMMKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-7-5-12(6-8-14)10-19-16(20)11-21-15-4-2-1-3-13(15)9-18/h1-8H,10-11H2,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 300.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 2565510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).