2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C16H18ClN3O3 — CID 51108521

IUPAC2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CNc2cc(Cl)ccc2OC)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-14-4-3-12(17)8-13(14)19-10-15(21)20-9-11-5-6-18-16(7-11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyYBFAFSIIZYMZGL-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds7

About 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 51108521) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID51108521
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CNc2cc(Cl)ccc2OC)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-14-4-3-12(17)8-13(14)19-10-15(21)20-9-11-5-6-18-16(7-11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyYBFAFSIIZYMZGL-UHFFFAOYSA-N
XLogP2.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
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-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 51108521) is 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is COc1cc(CNC(=O)CNc2cc(Cl)ccc2OC)ccn1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is YBFAFSIIZYMZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-14-4-3-12(17)8-13(14)19-10-15(21)20-9-11-5-6-18-16(7-11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 51108521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).