N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide

C16H12FN3O — CID 6873008

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FN3O/c17-12-5-3-4-11(8-12)9-19-20-16(21)14-10-18-15-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)/b19-9+
InChIKeyNPIGJSAGMFYJJD-DJKKODMXSA-N
MW281.29 g/mol
LogP3.07
Rot. Bonds3

About N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6873008) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6873008
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FN3O/c17-12-5-3-4-11(8-12)9-19-20-16(21)14-10-18-15-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)/b19-9+
InChIKeyNPIGJSAGMFYJJD-DJKKODMXSA-N
XLogP3.07
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.07
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

N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide (CID 6873008) is N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1cccc(F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is NPIGJSAGMFYJJD-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-5-3-4-11(8-12)9-19-20-16(21)14-10-18-15-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 3.07, 3 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]-1H-indole-3-carboxamide is sourced from PubChem (CID 6873008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).