2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide

C23H21Cl2FN2O2 — CID 157036920

IUPAC2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2c(Oc3cccc(Cl)c3F)cnc(Cl)c2C)c(C)c1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-8-16(14(2)11-13)9-10-27-23(29)20-15(3)22(25)28-12-19(20)30-18-6-4-5-17(24)21(18)26/h4-8,11-12H,9-10H2,1-3H3,(H,27,29)
InChIKeyVCJITUSIYCOCOX-UHFFFAOYSA-N
MW447.34 g/mol
LogP6.22
Rot. Bonds6

About 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide

2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide (PubChem CID 157036920) has the molecular formula C23H21Cl2FN2O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide
PubChem CID157036920
Molecular FormulaC23H21Cl2FN2O2
Molecular Weight447.34 g/mol
Exact Mass446.10
IUPAC Name2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2c(Oc3cccc(Cl)c3F)cnc(Cl)c2C)c(C)c1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-8-16(14(2)11-13)9-10-27-23(29)20-15(3)22(25)28-12-19(20)30-18-6-4-5-17(24)21(18)26/h4-8,11-12H,9-10H2,1-3H3,(H,27,29)
InChIKeyVCJITUSIYCOCOX-UHFFFAOYSA-N
XLogP6.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide 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-chloro-N-[2-(2,4-dimethylphenyl)ethyl]-5-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxamide
CID 157036898
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
methyl N-[[3-(3-chloro-2-fluorophenoxy)-6-methylpyridazine-4-carbothioyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate
CID 171832385
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891624
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 67337764
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
1-[2-(2-chlorophenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide (CID 157036920) is 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide is Cc1ccc(CCNC(=O)c2c(Oc3cccc(Cl)c3F)cnc(Cl)c2C)c(C)c1.
What is the InChIKey of 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide?
The InChIKey is VCJITUSIYCOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2/c1-13-7-8-16(14(2)11-13)9-10-27-23(29)20-15(3)22(25)28-12-19(20)30-18-6-4-5-17(24)21(18)26/h4-8,11-12H,9-10H2,1-3H3,(H,27,29).
What are the key properties of 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide?
2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide has a molecular weight of 447.34 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-2-fluorophenoxy)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 157036920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).