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

C19H17ClN2O3 — CID 90586080

IUPACN-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3ccccc3Cl)C2)Oc2ccccc21
InChIInChI=1S/C19H17ClN2O3/c20-14-6-2-3-7-15(14)21-18(24)22-10-9-19(12-22)11-16(23)13-5-1-4-8-17(13)25-19/h1-8H,9-12H2,(H,21,24)
InChIKeySATSWLDZHDVSNI-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.98
Rot. Bonds1

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

N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 90586080) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID90586080
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3ccccc3Cl)C2)Oc2ccccc21
InChIInChI=1S/C19H17ClN2O3/c20-14-6-2-3-7-15(14)21-18(24)22-10-9-19(12-22)11-16(23)13-5-1-4-8-17(13)25-19/h1-8H,9-12H2,(H,21,24)
InChIKeySATSWLDZHDVSNI-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (CID 90586080) is N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)Nc3ccccc3Cl)C2)Oc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is SATSWLDZHDVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-14-6-2-3-7-15(14)21-18(24)22-10-9-19(12-22)11-16(23)13-5-1-4-8-17(13)25-19/h1-8H,9-12H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 90586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).