5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one

C19H14Cl2FNO — CID 67380274

IUPAC5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc(-n2c3c(c4c(Cl)c(Cl)ccc42)CCC(F)C3=O)cc1
InChIInChI=1S/C19H14Cl2FNO/c1-10-2-4-11(5-3-10)23-15-9-7-13(20)17(21)16(15)12-6-8-14(22)19(24)18(12)23/h2-5,7,9,14H,6,8H2,1H3
InChIKeyAVNNKOKXBWVASD-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.71
Rot. Bonds1

About 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one

5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one (PubChem CID 67380274) has the molecular formula C19H14Cl2FNO and a molecular weight of 362.23 g/mol. Its IUPAC name is 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
PubChem CID67380274
Molecular FormulaC19H14Cl2FNO
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc(-n2c3c(c4c(Cl)c(Cl)ccc42)CCC(F)C3=O)cc1
InChIInChI=1S/C19H14Cl2FNO/c1-10-2-4-11(5-3-10)23-15-9-7-13(20)17(21)16(15)12-6-8-14(22)19(24)18(12)23/h2-5,7,9,14H,6,8H2,1H3
InChIKeyAVNNKOKXBWVASD-UHFFFAOYSA-N
XLogP5.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one (CID 67380274) is 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one is Cc1ccc(-n2c3c(c4c(Cl)c(Cl)ccc42)CCC(F)C3=O)cc1.
What is the InChIKey of 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is AVNNKOKXBWVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO/c1-10-2-4-11(5-3-10)23-15-9-7-13(20)17(21)16(15)12-6-8-14(22)19(24)18(12)23/h2-5,7,9,14H,6,8H2,1H3.
What are the key properties of 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 362.23 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-fluoro-9-(4-methylphenyl)-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 67380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).