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

C19H14Cl2FNO — CID 67380276

IUPAC5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccccc1-n1c2c(c3c(Cl)c(Cl)ccc31)CCC(F)C2=O
InChIInChI=1S/C19H14Cl2FNO/c1-10-4-2-3-5-14(10)23-15-9-7-12(20)17(21)16(15)11-6-8-13(22)19(24)18(11)23/h2-5,7,9,13H,6,8H2,1H3
InChIKeyHRUZZHRBAHXKRC-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.71
Rot. Bonds1

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

5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one (PubChem CID 67380276) has the molecular formula C19H14Cl2FNO and a molecular weight of 362.23 g/mol. Its IUPAC name is 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
PubChem CID67380276
Molecular FormulaC19H14Cl2FNO
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccccc1-n1c2c(c3c(Cl)c(Cl)ccc31)CCC(F)C2=O
InChIInChI=1S/C19H14Cl2FNO/c1-10-4-2-3-5-14(10)23-15-9-7-12(20)17(21)16(15)11-6-8-13(22)19(24)18(11)23/h2-5,7,9,13H,6,8H2,1H3
InChIKeyHRUZZHRBAHXKRC-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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Related Compounds

6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 612977
(5-chloro-1H-indol-2-yl)(phenyl)methanone
CID 794643
6-chloro-9-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 684323
1-Benzoyl-6-chloro-3-cyano-pyrrolo[1,2-a]quinoline
CID 10404418
6-Chloro-1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 21892146
1-(6-Chloro-9-methyl-9H-carbazol-3-yl)ethanone
CID 2842796
1-(5-chloro-3-phenyl-1H-indol-2-yl)ethanone
CID 12258607
1-[1-(4-Chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone
CID 118085808
N-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-1-methylindole-2-carboxamide
CID 71769546
N-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylindole-2-carboxamide
CID 71769547
1-Benzoyl-7-chloro-3-cyano-pyrrolo[1,2-a]quinoline
CID 10314610
Carbazol-1(2H)-one, 3,4-dihydro-6-chloro-9-(2-(diethylamino)ethyl)-, monohydrochloride
CID 29166

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one (CID 67380276) is 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one is Cc1ccccc1-n1c2c(c3c(Cl)c(Cl)ccc31)CCC(F)C2=O.
What is the InChIKey of 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is HRUZZHRBAHXKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO/c1-10-4-2-3-5-14(10)23-15-9-7-12(20)17(21)16(15)11-6-8-13(22)19(24)18(11)23/h2-5,7,9,13H,6,8H2,1H3.
What are the key properties of 5,6-dichloro-2-fluoro-9-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one?
5,6-dichloro-2-fluoro-9-(2-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-(2-methylphenyl)-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 67380276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).