phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate

C17H13ClN2O3 — CID 177310617

IUPACphenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate
SMILESO=C(Nc1cc(Cl)c2c(c1)C1(CC1)C(=O)N2)Oc1ccccc1
InChIInChI=1S/C17H13ClN2O3/c18-13-9-10(19-16(22)23-11-4-2-1-3-5-11)8-12-14(13)20-15(21)17(12)6-7-17/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyQJWXTKJTZDFFMQ-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.93
Rot. Bonds2

About phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate

phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate (PubChem CID 177310617) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.75 g/mol. Its IUPAC name is phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate
PubChem CID177310617
Molecular FormulaC17H13ClN2O3
Molecular Weight328.75 g/mol
Exact Mass328.06
IUPAC Namephenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate
SMILESO=C(Nc1cc(Cl)c2c(c1)C1(CC1)C(=O)N2)Oc1ccccc1
InChIInChI=1S/C17H13ClN2O3/c18-13-9-10(19-16(22)23-11-4-2-1-3-5-11)8-12-14(13)20-15(21)17(12)6-7-17/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyQJWXTKJTZDFFMQ-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate?
The IUPAC name of phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate (CID 177310617) is phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate.
What is the SMILES notation for phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate?
The canonical SMILES for phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate is O=C(Nc1cc(Cl)c2c(c1)C1(CC1)C(=O)N2)Oc1ccccc1.
What is the InChIKey of phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate?
The InChIKey is QJWXTKJTZDFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-13-9-10(19-16(22)23-11-4-2-1-3-5-11)8-12-14(13)20-15(21)17(12)6-7-17/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate?
phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate has a molecular weight of 328.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate is sourced from PubChem (CID 177310617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).