5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide

C16H11ClFN3O — CID 51362241

IUPAC5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-12-3-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-1-4-13(18)5-2-10/h1-9,20H,(H,21,22)/b19-9+
InChIKeyBOYYAPVHEYMDRN-DJKKODMXSA-N
MW315.74 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide

5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 51362241) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID51362241
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC Name5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-12-3-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-1-4-13(18)5-2-10/h1-9,20H,(H,21,22)/b19-9+
InChIKeyBOYYAPVHEYMDRN-DJKKODMXSA-N
XLogP3.72
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.72
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 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide (CID 51362241) is 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is BOYYAPVHEYMDRN-DJKKODMXSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-12-3-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-1-4-13(18)5-2-10/h1-9,20H,(H,21,22)/b19-9+.
What are the key properties of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide?
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 51362241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).