2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide

C22H20Cl2N2O2 — CID 56764008

IUPAC2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-9-10-21(20(24)14-18)28-16-22(27)26(15-19-8-4-5-12-25-19)13-11-17-6-2-1-3-7-17/h1-10,12,14H,11,13,15-16H2
InChIKeyPVPHANWCOQQSTF-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.04
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56764008) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID56764008
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-9-10-21(20(24)14-18)28-16-22(27)26(15-19-8-4-5-12-25-19)13-11-17-6-2-1-3-7-17/h1-10,12,14H,11,13,15-16H2
InChIKeyPVPHANWCOQQSTF-UHFFFAOYSA-N
XLogP5.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
N-(2-aminoethyl)-2-(2-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 120885508
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
5-chloro-2-[2-[(2,3-dimethoxyphenyl)methyl-(2-phenylethyl)amino]-2-oxoethoxy]benzoic acid
CID 110077002
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
(2S)-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100626355
2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41055389

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 56764008) is 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PVPHANWCOQQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-18-9-10-21(20(24)14-18)28-16-22(27)26(15-19-8-4-5-12-25-19)13-11-17-6-2-1-3-7-17/h1-10,12,14H,11,13,15-16H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 415.32 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56764008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).