2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide

C24H18Cl2N4O4 — CID 139559406

IUPAC2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnc(NC(=O)COc2ccc(Cl)cc2)c2ccncc12
InChIInChI=1S/C24H18Cl2N4O4/c25-15-1-5-17(6-2-15)33-13-22(31)29-21-12-28-24(19-9-10-27-11-20(19)21)30-23(32)14-34-18-7-3-16(26)4-8-18/h1-12H,13-14H2,(H,29,31)(H,28,30,32)
InChIKeyLPTUHYVRNUSFJH-UHFFFAOYSA-N
MW497.34 g/mol
LogP4.97
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide (PubChem CID 139559406) has the molecular formula C24H18Cl2N4O4 and a molecular weight of 497.34 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide
PubChem CID139559406
Molecular FormulaC24H18Cl2N4O4
Molecular Weight497.34 g/mol
Exact Mass496.07
IUPAC Name2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnc(NC(=O)COc2ccc(Cl)cc2)c2ccncc12
InChIInChI=1S/C24H18Cl2N4O4/c25-15-1-5-17(6-2-15)33-13-22(31)29-21-12-28-24(19-9-10-27-11-20(19)21)30-23(32)14-34-18-7-3-16(26)4-8-18/h1-12H,13-14H2,(H,29,31)(H,28,30,32)
InChIKeyLPTUHYVRNUSFJH-UHFFFAOYSA-N
XLogP4.97
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.34
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594623

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide (CID 139559406) is 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cnc(NC(=O)COc2ccc(Cl)cc2)c2ccncc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide?
The InChIKey is LPTUHYVRNUSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O4/c25-15-1-5-17(6-2-15)33-13-22(31)29-21-12-28-24(19-9-10-27-11-20(19)21)30-23(32)14-34-18-7-3-16(26)4-8-18/h1-12H,13-14H2,(H,29,31)(H,28,30,32).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide has a molecular weight of 497.34 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 139559406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).