N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

C18H15ClN2O3 — CID 166401798

IUPACN-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESO=C1Cc2c(cccc2C(=O)NC2(c3ccc(Cl)cc3)COC2)N1
InChIInChI=1S/C18H15ClN2O3/c19-12-6-4-11(5-7-12)18(9-24-10-18)21-17(23)13-2-1-3-15-14(13)8-16(22)20-15/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyOKDVQGKBXRUATP-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.49
Rot. Bonds3

About N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 166401798) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID166401798
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESO=C1Cc2c(cccc2C(=O)NC2(c3ccc(Cl)cc3)COC2)N1
InChIInChI=1S/C18H15ClN2O3/c19-12-6-4-11(5-7-12)18(9-24-10-18)21-17(23)13-2-1-3-15-14(13)8-16(22)20-15/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyOKDVQGKBXRUATP-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 166401798) is N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is O=C1Cc2c(cccc2C(=O)NC2(c3ccc(Cl)cc3)COC2)N1.
What is the InChIKey of N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is OKDVQGKBXRUATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-12-6-4-11(5-7-12)18(9-24-10-18)21-17(23)13-2-1-3-15-14(13)8-16(22)20-15/h1-7H,8-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)oxetan-3-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 166401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).