N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C17H14FN3O — CID 5341402

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c18-14-5-3-4-12(8-14)10-20-21-17(22)9-13-11-19-16-7-2-1-6-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10+
InChIKeySHXCMBQPXATVOB-KEBDBYFISA-N
MW295.32 g/mol
LogP3.00
Rot. Bonds4

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

N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 5341402) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID5341402
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c18-14-5-3-4-12(8-14)10-20-21-17(22)9-13-11-19-16-7-2-1-6-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10+
InChIKeySHXCMBQPXATVOB-KEBDBYFISA-N
XLogP3.00
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 5341402) is N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(F)c1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is SHXCMBQPXATVOB-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-5-3-4-12(8-14)10-20-21-17(22)9-13-11-19-16-7-2-1-6-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 295.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 5341402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).