5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide

C20H19F2N3O — CID 174402507

IUPAC5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide
SMILES[H]/N=C(\CC(=O)Nc1ccc(F)cc1)CC(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H19F2N3O/c1-12(18-11-24-19-7-4-14(22)9-17(18)19)8-15(23)10-20(26)25-16-5-2-13(21)3-6-16/h2-7,9,11-12,23-24H,8,10H2,1H3,(H,25,26)/b23-15-
InChIKeyMIPIATCCFBNCON-HAHDFKILSA-N
MW355.39 g/mol
LogP4.99
Rot. Bonds6

About 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide

5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide (PubChem CID 174402507) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide.

Molecular Properties

Compound Name5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide
PubChem CID174402507
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide
SMILES[H]/N=C(\CC(=O)Nc1ccc(F)cc1)CC(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H19F2N3O/c1-12(18-11-24-19-7-4-14(22)9-17(18)19)8-15(23)10-20(26)25-16-5-2-13(21)3-6-16/h2-7,9,11-12,23-24H,8,10H2,1H3,(H,25,26)/b23-15-
InChIKeyMIPIATCCFBNCON-HAHDFKILSA-N
XLogP4.99
TPSA68.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoro-1H-indol-3-yl)-2-iminopentanoic acid
CID 175239287
3-[6-(3-fluoroanilino)-4-iminohexan-2-yl]-1H-indole-5-carbonitrile
CID 174419018
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
(3S,4S)-3-amino-4-(5-fluoro-1H-indol-3-yl)pentan-2-one
CID 122607429
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide
CID 162717600
3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile
CID 175233892

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide?
The IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide (CID 174402507) is 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide.
What is the SMILES notation for 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide?
The canonical SMILES for 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide is [H]/N=C(\CC(=O)Nc1ccc(F)cc1)CC(C)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide?
The InChIKey is MIPIATCCFBNCON-HAHDFKILSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-12(18-11-24-19-7-4-14(22)9-17(18)19)8-15(23)10-20(26)25-16-5-2-13(21)3-6-16/h2-7,9,11-12,23-24H,8,10H2,1H3,(H,25,26)/b23-15-.
What are the key properties of 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide?
5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide has a molecular weight of 355.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide is sourced from PubChem (CID 174402507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).