6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile

C19H17ClFN3 — CID 155377235

IUPAC6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile
SMILESCCN(CC)c1c(C#N)n(-c2ccccc2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C19H17ClFN3/c1-3-23(4-2)19-14-10-16(21)15(20)11-17(14)24(18(19)12-22)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3
InChIKeyVIAJOOQDFIFWMA-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.14
Rot. Bonds4

About 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile

6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile (PubChem CID 155377235) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile
PubChem CID155377235
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile
SMILESCCN(CC)c1c(C#N)n(-c2ccccc2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C19H17ClFN3/c1-3-23(4-2)19-14-10-16(21)15(20)11-17(14)24(18(19)12-22)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3
InChIKeyVIAJOOQDFIFWMA-UHFFFAOYSA-N
XLogP5.14
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid
CID 155377365
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CID 142744719
5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile
CID 162124171
2-amino-4-[(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)methyl-ethylamino]pyrimidine-5-carbonitrile
CID 90064224
9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
CID 14265487
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
4-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]benzonitrile
CID 75515541
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736
3-N,6-N,6-N-tris[4-(diethylamino)phenyl]-3-N-[4-[ethyl(methyl)amino]phenyl]-9-phenylcarbazole-3,6-diamine
CID 143236492
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile?
The IUPAC name of 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile (CID 155377235) is 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile?
The canonical SMILES for 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile is CCN(CC)c1c(C#N)n(-c2ccccc2)c2cc(Cl)c(F)cc12.
What is the InChIKey of 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile?
The InChIKey is VIAJOOQDFIFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-3-23(4-2)19-14-10-16(21)15(20)11-17(14)24(18(19)12-22)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile?
6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile has a molecular weight of 341.82 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile is sourced from PubChem (CID 155377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).