1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide

C16H14FN5 — CID 142911235

IUPAC1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20)
InChIKeyFKMWVYDSEHCJSG-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.48
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide

1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide (PubChem CID 142911235) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
PubChem CID142911235
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20)
InChIKeyFKMWVYDSEHCJSG-UHFFFAOYSA-N
XLogP3.48
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 89319036
N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223584
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidenehydrazine
CID 168530528
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine
CID 168592291
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
1-[(4-chloro-3-fluorophenyl)methyl]indole-5-carbothioamide
CID 107920577
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide (CID 142911235) is 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide is [H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The InChIKey is FKMWVYDSEHCJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide has a molecular weight of 295.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide is sourced from PubChem (CID 142911235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).