(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

C19H13BrFNO — CID 143235039

IUPAC(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C/c2ccc(F)cc2)CCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C19H13BrFNO/c20-13-4-8-17-16(10-13)15-7-3-12(19(23)18(15)22-17)9-11-1-5-14(21)6-2-11/h1-2,4-6,8-10,22H,3,7H2/b12-9+
InChIKeyVCNSXJVEXJEVLF-FMIVXFBMSA-N
MW370.22 g/mol
LogP5.28
Rot. Bonds1

About (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (PubChem CID 143235039) has the molecular formula C19H13BrFNO and a molecular weight of 370.22 g/mol. Its IUPAC name is (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
PubChem CID143235039
Molecular FormulaC19H13BrFNO
Molecular Weight370.22 g/mol
Exact Mass369.02
IUPAC Name(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C/c2ccc(F)cc2)CCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C19H13BrFNO/c20-13-4-8-17-16(10-13)15-7-3-12(19(23)18(15)22-17)9-11-1-5-14(21)6-2-11/h1-2,4-6,8-10,22H,3,7H2/b12-9+
InChIKeyVCNSXJVEXJEVLF-FMIVXFBMSA-N
XLogP5.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 143235079
(2E)-2-[(4-ethoxyphenyl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 170179954
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 51052054
(2E,7E)-2,7-bis[(4-fluorophenyl)methylidene]cycloheptan-1-one
CID 6308455
(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
CID 6517331
2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
CID 4851352
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 126814924
(2E)-6-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 170179957
7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
CID 82382896
(2E,3R,6E)-2,6-bis[(4-fluorophenyl)methylidene]-3-methylcyclohexan-1-one
CID 98392647
(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one
CID 155535757

Frequently Asked Questions

What is the IUPAC name of (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (CID 143235039) is (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is O=C1/C(=C/c2ccc(F)cc2)CCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is VCNSXJVEXJEVLF-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H13BrFNO/c20-13-4-8-17-16(10-13)15-7-3-12(19(23)18(15)22-17)9-11-1-5-14(21)6-2-11/h1-2,4-6,8-10,22H,3,7H2/b12-9+.
What are the key properties of (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 370.22 g/mol, XLogP of 5.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 143235039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).