1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide

C16H13F2N3 — CID 142911354

IUPAC1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2N3/c17-13-3-1-12(14(18)8-13)9-21-6-5-10-7-11(16(19)20)2-4-15(10)21/h1-8H,9H2,(H3,19,20)
InChIKeyODDAWEFKNBSBMT-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.25
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide

1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide (PubChem CID 142911354) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
PubChem CID142911354
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2N3/c17-13-3-1-12(14(18)8-13)9-21-6-5-10-7-11(16(19)20)2-4-15(10)21/h1-8H,9H2,(H3,19,20)
InChIKeyODDAWEFKNBSBMT-UHFFFAOYSA-N
XLogP3.25
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]indole-5-carbothioamide
CID 107920699
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235
[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine
CID 140790915
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
3-fluoro-4-(imidazol-1-ylmethyl)benzenecarboximidamide
CID 24691944
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24709254
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzoic acid
CID 102670073

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide (CID 142911354) is 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide is [H]/N=C(\N)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide?
The InChIKey is ODDAWEFKNBSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-13-3-1-12(14(18)8-13)9-21-6-5-10-7-11(16(19)20)2-4-15(10)21/h1-8H,9H2,(H3,19,20).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide?
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide has a molecular weight of 285.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide is sourced from PubChem (CID 142911354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).