1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide

C16H13F2N5 — CID 89319036

IUPAC1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2N5/c17-13-3-1-10(7-14(13)18)9-23-6-5-11-8-12(2-4-15(11)23)16(19)21-22-20/h1-8H,9H2,(H3,19,20,21)
InChIKeyKVHDXDXDXBOVEO-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.62
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide

1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide (PubChem CID 89319036) has the molecular formula C16H13F2N5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
PubChem CID89319036
Molecular FormulaC16H13F2N5
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2N5/c17-13-3-1-10(7-14(13)18)9-23-6-5-11-8-12(2-4-15(11)23)16(19)21-22-20/h1-8H,9H2,(H3,19,20,21)
InChIKeyKVHDXDXDXBOVEO-UHFFFAOYSA-N
XLogP3.62
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.62
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-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235
N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223584
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
1-[(4-chloro-3-fluorophenyl)methyl]indole-5-carbothioamide
CID 107920577
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide (CID 89319036) is 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide is [H]/N=C(\N=N\N)c1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
The InChIKey is KVHDXDXDXBOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5/c17-13-3-1-10(7-14(13)18)9-23-6-5-11-8-12(2-4-15(11)23)16(19)21-22-20/h1-8H,9H2,(H3,19,20,21).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide?
1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide has a molecular weight of 313.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide is sourced from PubChem (CID 89319036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).