2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide

C22H21ClN2O — CID 51131658

IUPAC2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C22H21ClN2O/c23-21-8-6-19(7-9-21)16-22(26)25(17-20-10-13-24-14-11-20)15-12-18-4-2-1-3-5-18/h1-11,13-14H,12,15-17H2
InChIKeyIYXABMRNVVZWRW-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.55
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 51131658) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID51131658
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C22H21ClN2O/c23-21-8-6-19(7-9-21)16-22(26)25(17-20-10-13-24-14-11-20)15-12-18-4-2-1-3-5-18/h1-11,13-14H,12,15-17H2
InChIKeyIYXABMRNVVZWRW-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
trans-(1S,3S)-N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 91777723
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 51131658) is 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccncc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is IYXABMRNVVZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-21-8-6-19(7-9-21)16-22(26)25(17-20-10-13-24-14-11-20)15-12-18-4-2-1-3-5-18/h1-11,13-14H,12,15-17H2.
What are the key properties of 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 364.88 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 51131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).