2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine

C18H17ClFN5 — CID 166631614

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H17ClFN5/c19-14-6-4-12(5-7-14)8-9-22-18(21)25-24-11-13-10-23-16-3-1-2-15(20)17(13)16/h1-7,10-11,23H,8-9H2,(H3,21,22,25)/b24-11+
InChIKeyGCNAXPBNVJKPBR-BHGWPJFGSA-N
MW357.82 g/mol
LogP3.44
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine

2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine (PubChem CID 166631614) has the molecular formula C18H17ClFN5 and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine
PubChem CID166631614
Molecular FormulaC18H17ClFN5
Molecular Weight357.82 g/mol
Exact Mass357.12
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H17ClFN5/c19-14-6-4-12(5-7-14)8-9-22-18(21)25-24-11-13-10-23-16-3-1-2-15(20)17(13)16/h1-7,10-11,23H,8-9H2,(H3,21,22,25)/b24-11+
InChIKeyGCNAXPBNVJKPBR-BHGWPJFGSA-N
XLogP3.44
TPSA78.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 77379
Tepirindole
CID 68915
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036932
(2E)-2-(1H-indol-3-ylmethylidene)hydrazinecarbothioamide
CID 135400404
5-(4-F-PH)-4-((1H-Indol-3-ylmethylene)amino)-4H-1,2,4-triazol-3-YL hydrosulfide
CID 135521473
2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
CID 3795475
1H-Indole-3-carbaldehyde N-phenylthiosemicarbazone
CID 135775992
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
4-(((1H-Indol-3-yl)methylene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione
CID 135651380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine (CID 166631614) is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine is N/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2cccc(F)c12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine?
The InChIKey is GCNAXPBNVJKPBR-BHGWPJFGSA-N. The full InChI is InChI=1S/C18H17ClFN5/c19-14-6-4-12(5-7-14)8-9-22-18(21)25-24-11-13-10-23-16-3-1-2-15(20)17(13)16/h1-7,10-11,23H,8-9H2,(H3,21,22,25)/b24-11+.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine?
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine has a molecular weight of 357.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(4-fluoro-1H-indol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 166631614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).