N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide

C17H14FN3O — CID 3109037

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c1-11(12-6-8-13(18)9-7-12)20-21-17(22)15-10-19-16-5-3-2-4-14(15)16/h2-10,19H,1H3,(H,21,22)
InChIKeyPLNHOFFELUQTMF-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide

N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 3109037) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
PubChem CID3109037
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c1-11(12-6-8-13(18)9-7-12)20-21-17(22)15-10-19-16-5-3-2-4-14(15)16/h2-10,19H,1H3,(H,21,22)
InChIKeyPLNHOFFELUQTMF-UHFFFAOYSA-N
XLogP3.46
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.46
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-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 19685568
N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
CID 135647008
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 4167609
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide (CID 3109037) is N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide is CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is PLNHOFFELUQTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11(12-6-8-13(18)9-7-12)20-21-17(22)15-10-19-16-5-3-2-4-14(15)16/h2-10,19H,1H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide?
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 3109037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).