N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide

C22H21ClN2O2 — CID 54081829

IUPACN-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(N(C=O)c2c(C)cccc2C)cn1
InChIInChI=1S/C22H21ClN2O2/c1-14-6-5-7-15(2)21(14)25(13-26)19-8-9-20(24-12-19)27-22-16(3)10-18(23)11-17(22)4/h5-13H,1-4H3
InChIKeyMNRALRUIJABODG-UHFFFAOYSA-N
MW380.88 g/mol
LogP6.06
Rot. Bonds5

About N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide

N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide (PubChem CID 54081829) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide
PubChem CID54081829
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(N(C=O)c2c(C)cccc2C)cn1
InChIInChI=1S/C22H21ClN2O2/c1-14-6-5-7-15(2)21(14)25(13-26)19-8-9-20(24-12-19)27-22-16(3)10-18(23)11-17(22)4/h5-13H,1-4H3
InChIKeyMNRALRUIJABODG-UHFFFAOYSA-N
XLogP6.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide?
The IUPAC name of N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide (CID 54081829) is N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide.
What is the SMILES notation for N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide?
The canonical SMILES for N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide is Cc1cc(Cl)cc(C)c1Oc1ccc(N(C=O)c2c(C)cccc2C)cn1.
What is the InChIKey of N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide?
The InChIKey is MNRALRUIJABODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-14-6-5-7-15(2)21(14)25(13-26)19-8-9-20(24-12-19)27-22-16(3)10-18(23)11-17(22)4/h5-13H,1-4H3.
What are the key properties of N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide?
N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide has a molecular weight of 380.88 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]-N-(2,6-dimethylphenyl)formamide is sourced from PubChem (CID 54081829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).