N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide

C16H13ClN2O2 — CID 80712025

IUPACN-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESN#Cc1ccc(Cl)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-14-7-6-13(9-18)15(8-14)21-11-16(20)19-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,19,20)
InChIKeyQTQQBBNORGOXLX-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.91
Rot. Bonds5

About N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide

N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide (PubChem CID 80712025) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
PubChem CID80712025
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESN#Cc1ccc(Cl)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-14-7-6-13(9-18)15(8-14)21-11-16(20)19-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,19,20)
InChIKeyQTQQBBNORGOXLX-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-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
CID 19617618
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The IUPAC name of N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide (CID 80712025) is N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide is N#Cc1ccc(Cl)cc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The InChIKey is QTQQBBNORGOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-7-6-13(9-18)15(8-14)21-11-16(20)19-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,19,20).
What are the key properties of N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide?
N-benzyl-2-(5-chloro-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-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide is sourced from PubChem (CID 80712025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).