N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

C17H14FN3O2 — CID 156600169

IUPACN-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3F)cc2c1
InChIInChI=1S/C17H14FN3O2/c1-23-13-6-7-15-12(8-13)9-16(20-15)17(22)21-19-10-11-4-2-3-5-14(11)18/h2-10,20H,1H3,(H,21,22)
InChIKeyVQVHHPJIWRPIJL-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.08
Rot. Bonds4

About N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 156600169) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
PubChem CID156600169
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3F)cc2c1
InChIInChI=1S/C17H14FN3O2/c1-23-13-6-7-15-12(8-13)9-16(20-15)17(22)21-19-10-11-4-2-3-5-14(11)18/h2-10,20H,1H3,(H,21,22)
InChIKeyVQVHHPJIWRPIJL-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890815
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 2018531
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide
CID 44621337
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 6885107
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
CID 175137572
N-[(E)-(2-fluorophenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525467
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137014970

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (CID 156600169) is N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3F)cc2c1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is VQVHHPJIWRPIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-13-6-7-15-12(8-13)9-16(20-15)17(22)21-19-10-11-4-2-3-5-14(11)18/h2-10,20H,1H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 156600169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).