N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide

C21H19ClN2O2 — CID 20897097

IUPACN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-15-4-10-19(11-5-15)26-14-20(25)24-21(17-3-2-12-23-13-17)16-6-8-18(22)9-7-16/h2-13,21H,14H2,1H3,(H,24,25)
InChIKeyHNLCJKJFDUDLKQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.33
Rot. Bonds6

About N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 20897097) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
PubChem CID20897097
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-15-4-10-19(11-5-15)26-14-20(25)24-21(17-3-2-12-23-13-17)16-6-8-18(22)9-7-16/h2-13,21H,14H2,1H3,(H,24,25)
InChIKeyHNLCJKJFDUDLKQ-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
2-(4-acetamidophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 7379493
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 66612389
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide (CID 20897097) is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HNLCJKJFDUDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-15-4-10-19(11-5-15)26-14-20(25)24-21(17-3-2-12-23-13-17)16-6-8-18(22)9-7-16/h2-13,21H,14H2,1H3,(H,24,25).
What are the key properties of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide?
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 20897097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).