N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide

C23H18ClN3O3 — CID 16584756

IUPACN-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
SMILESCN1C(=O)C2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-18(20)23(21(26)28)27(19-8-4-2-6-15(19)14-30-23)22(29)25-17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,29)
InChIKeyKMHDUJMXBAYDMJ-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.74
Rot. Bonds1

About N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide

N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide (PubChem CID 16584756) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
PubChem CID16584756
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
SMILESCN1C(=O)C2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-18(20)23(21(26)28)27(19-8-4-2-6-15(19)14-30-23)22(29)25-17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,29)
InChIKeyKMHDUJMXBAYDMJ-UHFFFAOYSA-N
XLogP4.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide (CID 16584756) is N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide is CN1C(=O)C2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The InChIKey is KMHDUJMXBAYDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-18(20)23(21(26)28)27(19-8-4-2-6-15(19)14-30-23)22(29)25-17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide is sourced from PubChem (CID 16584756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).