2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline

C21H15F2N3 — CID 137226357

IUPAC2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
SMILESFc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccccc2F)cc1
InChIInChI=1S/C21H15F2N3/c22-15-11-9-14(10-12-15)21-17(16-5-1-3-7-19(16)25-21)13-24-26-20-8-4-2-6-18(20)23/h1-13,25-26H/b24-13+
InChIKeyLGHIZKCKCLZOPL-ZMOGYAJESA-N
MW347.37 g/mol
LogP5.56
Rot. Bonds4

About 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline

2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline (PubChem CID 137226357) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
PubChem CID137226357
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
SMILESFc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccccc2F)cc1
InChIInChI=1S/C21H15F2N3/c22-15-11-9-14(10-12-15)21-17(16-5-1-3-7-19(16)25-21)13-24-26-20-8-4-2-6-18(20)23/h1-13,25-26H/b24-13+
InChIKeyLGHIZKCKCLZOPL-ZMOGYAJESA-N
XLogP5.56
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136852078
1-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135713209
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
N-[[5-fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]-4-methylaniline
CID 146015166
1-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 136746274
3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
CID 135556740
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
CID 139216022
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-nitroaniline
CID 135580611
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
4-[3-(2-fluoroanilino)-1H-indol-2-yl]benzoic acid
CID 150670028

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline?
The IUPAC name of 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline (CID 137226357) is 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline.
What is the SMILES notation for 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline?
The canonical SMILES for 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline is Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline?
The InChIKey is LGHIZKCKCLZOPL-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15F2N3/c22-15-11-9-14(10-12-15)21-17(16-5-1-3-7-19(16)25-21)13-24-26-20-8-4-2-6-18(20)23/h1-13,25-26H/b24-13+.
What are the key properties of 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline?
2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline has a molecular weight of 347.37 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline is sourced from PubChem (CID 137226357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).