2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide

C22H20ClFN2O2 — CID 35578649

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
SMILESCc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc(C)c1Cl
InChIInChI=1S/C22H20ClFN2O2/c1-15-10-19(11-16(2)22(15)23)28-14-21(27)26(20-8-3-4-9-25-20)13-17-6-5-7-18(24)12-17/h3-12H,13-14H2,1-2H3
InChIKeyJMUMVYSXWAYCTD-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.10
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide (PubChem CID 35578649) has the molecular formula C22H20ClFN2O2 and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
PubChem CID35578649
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
SMILESCc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc(C)c1Cl
InChIInChI=1S/C22H20ClFN2O2/c1-15-10-19(11-16(2)22(15)23)28-14-21(27)26(20-8-3-4-9-25-20)13-17-6-5-7-18(24)12-17/h3-12H,13-14H2,1-2H3
InChIKeyJMUMVYSXWAYCTD-UHFFFAOYSA-N
XLogP5.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide 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-(2-chlorophenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35577428
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 26818821
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide
CID 35575456
N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylfuran-2-carboxamide
CID 35578218
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 17011724
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 35041654
2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
CID 23613582

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide (CID 35578649) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide is Cc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide?
The InChIKey is JMUMVYSXWAYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2/c1-15-10-19(11-16(2)22(15)23)28-14-21(27)26(20-8-3-4-9-25-20)13-17-6-5-7-18(24)12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide has a molecular weight of 398.87 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 35578649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).