N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide

C24H21ClN2O3 — CID 60600054

IUPACN-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-29-23-13-17(15-26)11-12-22(23)30-16-24(28)27-21(18-7-3-2-4-8-18)14-19-9-5-6-10-20(19)25/h2-13,21H,14,16H2,1H3,(H,27,28)
InChIKeyNBBFDFBMCYXQDW-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.70
Rot. Bonds8

About N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide

N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide (PubChem CID 60600054) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
PubChem CID60600054
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC NameN-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-29-23-13-17(15-26)11-12-22(23)30-16-24(28)27-21(18-7-3-2-4-8-18)14-19-9-5-6-10-20(19)25/h2-13,21H,14,16H2,1H3,(H,27,28)
InChIKeyNBBFDFBMCYXQDW-UHFFFAOYSA-N
XLogP4.70
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
CID 24635798
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
3-[[2-(4-cyanophenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 45432859
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide (CID 60600054) is N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide is COc1cc(C#N)ccc1OCC(=O)NC(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide?
The InChIKey is NBBFDFBMCYXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-29-23-13-17(15-26)11-12-22(23)30-16-24(28)27-21(18-7-3-2-4-8-18)14-19-9-5-6-10-20(19)25/h2-13,21H,14,16H2,1H3,(H,27,28).
What are the key properties of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide?
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide has a molecular weight of 420.90 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 60600054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).