2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one

C24H20ClNO — CID 176627784

IUPAC2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1cn(-c2ccc(Cl)c3ccccc23)c2ccccc12
InChIInChI=1S/C24H20ClNO/c25-21-13-14-23(17-8-2-1-7-16(17)21)26-15-20(18-9-3-5-11-22(18)26)19-10-4-6-12-24(19)27/h1-3,5,7-9,11,13-15,19H,4,6,10,12H2
InChIKeyFDYZMGUQEUYPMN-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.66
Rot. Bonds2

About 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one

2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one (PubChem CID 176627784) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one
PubChem CID176627784
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1cn(-c2ccc(Cl)c3ccccc23)c2ccccc12
InChIInChI=1S/C24H20ClNO/c25-21-13-14-23(17-8-2-1-7-16(17)21)26-15-20(18-9-3-5-11-22(18)26)19-10-4-6-12-24(19)27/h1-3,5,7-9,11,13-15,19H,4,6,10,12H2
InChIKeyFDYZMGUQEUYPMN-UHFFFAOYSA-N
XLogP6.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one (CID 176627784) is 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one is O=C1CCCCC1c1cn(-c2ccc(Cl)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one?
The InChIKey is FDYZMGUQEUYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c25-21-13-14-23(17-8-2-1-7-16(17)21)26-15-20(18-9-3-5-11-22(18)26)19-10-4-6-12-24(19)27/h1-3,5,7-9,11,13-15,19H,4,6,10,12H2.
What are the key properties of 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one?
2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one has a molecular weight of 373.88 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one is sourced from PubChem (CID 176627784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).