4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one

C25H16F2N2O — CID 164670112

IUPAC4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one
SMILESCn1cc(C2=C/C(=N\c3ccc(F)cc3F)c3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C25H16F2N2O/c1-29-14-20(17-7-4-5-9-24(17)29)19-13-23(16-6-2-3-8-18(16)25(19)30)28-22-11-10-15(26)12-21(22)27/h2-14H,1H3/b28-23+
InChIKeyHCGRCYHNOKVYPN-WEMUOSSPSA-N
MW398.41 g/mol
LogP5.86
Rot. Bonds2

About 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one

4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one (PubChem CID 164670112) has the molecular formula C25H16F2N2O and a molecular weight of 398.41 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one
PubChem CID164670112
Molecular FormulaC25H16F2N2O
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one
SMILESCn1cc(C2=C/C(=N\c3ccc(F)cc3F)c3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C25H16F2N2O/c1-29-14-20(17-7-4-5-9-24(17)29)19-13-23(16-6-2-3-8-18(16)25(19)30)28-22-11-10-15(26)12-21(22)27/h2-14H,1H3/b28-23+
InChIKeyHCGRCYHNOKVYPN-WEMUOSSPSA-N
XLogP5.86
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one?
The IUPAC name of 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one (CID 164670112) is 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one?
The canonical SMILES for 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one is Cn1cc(C2=C/C(=N\c3ccc(F)cc3F)c3ccccc3C2=O)c2ccccc21.
What is the InChIKey of 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one?
The InChIKey is HCGRCYHNOKVYPN-WEMUOSSPSA-N. The full InChI is InChI=1S/C25H16F2N2O/c1-29-14-20(17-7-4-5-9-24(17)29)19-13-23(16-6-2-3-8-18(16)25(19)30)28-22-11-10-15(26)12-21(22)27/h2-14H,1H3/b28-23+.
What are the key properties of 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one?
4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one has a molecular weight of 398.41 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)imino-2-(1-methylindol-3-yl)naphthalen-1-one is sourced from PubChem (CID 164670112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).