8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C20H18Cl2N2O3 — CID 100761536

IUPAC8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H18Cl2N2O3/c21-13-3-1-4-14(11-13)23-19(26)24-9-7-20(8-10-24)12-17(25)15-5-2-6-16(22)18(15)27-20/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyJCGFONWRIGYYOJ-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.03
Rot. Bonds1

About 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 100761536) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID100761536
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H18Cl2N2O3/c21-13-3-1-4-14(11-13)23-19(26)24-9-7-20(8-10-24)12-17(25)15-5-2-6-16(22)18(15)27-20/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyJCGFONWRIGYYOJ-UHFFFAOYSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46918073
N-(4-chlorophenyl)-7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782741
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
CID 169490415
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 58041415

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 100761536) is 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is JCGFONWRIGYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c21-13-3-1-4-14(11-13)23-19(26)24-9-7-20(8-10-24)12-17(25)15-5-2-6-16(22)18(15)27-20/h1-6,11H,7-10,12H2,(H,23,26).
What are the key properties of 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 405.28 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 100761536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).