2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide

C23H16Cl2N4O2 — CID 24987554

IUPAC2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide
SMILESN#Cc1c(-c2ccccc2OCC(N)=O)c(Nc2c(Cl)cccc2Cl)n2ccccc12
InChIInChI=1S/C23H16Cl2N4O2/c24-16-7-5-8-17(25)22(16)28-23-21(15(12-26)18-9-3-4-11-29(18)23)14-6-1-2-10-19(14)31-13-20(27)30/h1-11,28H,13H2,(H2,27,30)
InChIKeyPMBPFPDFBJAPBU-UHFFFAOYSA-N
MW451.31 g/mol
LogP5.39
Rot. Bonds6

About 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide

2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide (PubChem CID 24987554) has the molecular formula C23H16Cl2N4O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide
PubChem CID24987554
Molecular FormulaC23H16Cl2N4O2
Molecular Weight451.31 g/mol
Exact Mass450.07
IUPAC Name2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide
SMILESN#Cc1c(-c2ccccc2OCC(N)=O)c(Nc2c(Cl)cccc2Cl)n2ccccc12
InChIInChI=1S/C23H16Cl2N4O2/c24-16-7-5-8-17(25)22(16)28-23-21(15(12-26)18-9-3-4-11-29(18)23)14-6-1-2-10-19(14)31-13-20(27)30/h1-11,28H,13H2,(H2,27,30)
InChIKeyPMBPFPDFBJAPBU-UHFFFAOYSA-N
XLogP5.39
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
CID 24987557
2-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenoxy]acetamide
CID 24855191
2-[3-cyano-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67350699
2-[2-[6-cyano-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67351019
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide
CID 24995997
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate
CID 10016778
2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide (CID 24987554) is 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide is N#Cc1c(-c2ccccc2OCC(N)=O)c(Nc2c(Cl)cccc2Cl)n2ccccc12.
What is the InChIKey of 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide?
The InChIKey is PMBPFPDFBJAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O2/c24-16-7-5-8-17(25)22(16)28-23-21(15(12-26)18-9-3-4-11-29(18)23)14-6-1-2-10-19(14)31-13-20(27)30/h1-11,28H,13H2,(H2,27,30).
What are the key properties of 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide?
2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide has a molecular weight of 451.31 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24987554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).