2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide

C20H18ClN3O3 — CID 57397861

IUPAC2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-22-20(25)15-5-3-4-6-17(15)24-18-11-19(23-12-16(18)21)27-14-9-7-13(26-2)8-10-14/h3-12H,1-2H3,(H,22,25)(H,23,24)
InChIKeyPBOODVLUBNPLLU-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.64
Rot. Bonds6

About 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide

2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 57397861) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID57397861
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-22-20(25)15-5-3-4-6-17(15)24-18-11-19(23-12-16(18)21)27-14-9-7-13(26-2)8-10-14/h3-12H,1-2H3,(H,22,25)(H,23,24)
InChIKeyPBOODVLUBNPLLU-UHFFFAOYSA-N
XLogP4.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide (CID 57397861) is 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is PBOODVLUBNPLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-22-20(25)15-5-3-4-6-17(15)24-18-11-19(23-12-16(18)21)27-14-9-7-13(26-2)8-10-14/h3-12H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 383.84 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 57397861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).