(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate

C18H12Cl2N2O2 — CID 16619565

IUPAC(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate
SMILESN#Cc1c(COC(=O)Cc2ccc(Cl)cc2Cl)cn2ccccc12
InChIInChI=1S/C18H12Cl2N2O2/c19-14-5-4-12(16(20)8-14)7-18(23)24-11-13-10-22-6-2-1-3-17(22)15(13)9-21/h1-6,8,10H,7,11H2
InChIKeyHJOOLCDGJIWLAJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP4.40
Rot. Bonds4

About (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate

(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate (PubChem CID 16619565) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate
PubChem CID16619565
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate
SMILESN#Cc1c(COC(=O)Cc2ccc(Cl)cc2Cl)cn2ccccc12
InChIInChI=1S/C18H12Cl2N2O2/c19-14-5-4-12(16(20)8-14)7-18(23)24-11-13-10-22-6-2-1-3-17(22)15(13)9-21/h1-6,8,10H,7,11H2
InChIKeyHJOOLCDGJIWLAJ-UHFFFAOYSA-N
XLogP4.40
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyanoindolizin-2-yl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55512414
(1-cyanoindolizin-2-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 16582195
(1-cyanoindolizin-2-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 16617037
(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate
CID 16616982
(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55930254
(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 42936714
(1-cyanoindolizin-2-yl)methyl 1-benzofuran-2-carboxylate
CID 16616468
(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
CID 18148882
(1-cyanoindolizin-2-yl)methyl 1-benzyltriazole-4-carboxylate
CID 55640628
(1-cyanoindolizin-2-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55730421
2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile
CID 16582219
(1-cyanoindolizin-2-yl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 16624698

Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate (CID 16619565) is (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate is N#Cc1c(COC(=O)Cc2ccc(Cl)cc2Cl)cn2ccccc12.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate?
The InChIKey is HJOOLCDGJIWLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-14-5-4-12(16(20)8-14)7-18(23)24-11-13-10-22-6-2-1-3-17(22)15(13)9-21/h1-6,8,10H,7,11H2.
What are the key properties of (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate?
(1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate has a molecular weight of 359.21 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 16619565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).