4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C24H19F4N3O — CID 18833128

IUPAC4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F4N3O/c25-15-11-12-19-17(14-15)16(23(31-19)21-9-3-4-13-29-21)6-5-10-22(32)30-20-8-2-1-7-18(20)24(26,27)28/h1-4,7-9,11-14,31H,5-6,10H2,(H,30,32)
InChIKeyVSNWBKVJWFENAK-UHFFFAOYSA-N
MW441.43 g/mol
LogP6.35
Rot. Bonds6

About 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 18833128) has the molecular formula C24H19F4N3O and a molecular weight of 441.43 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID18833128
Molecular FormulaC24H19F4N3O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F4N3O/c25-15-11-12-19-17(14-15)16(23(31-19)21-9-3-4-13-29-21)6-5-10-22(32)30-20-8-2-1-7-18(20)24(26,27)28/h1-4,7-9,11-14,31H,5-6,10H2,(H,30,32)
InChIKeyVSNWBKVJWFENAK-UHFFFAOYSA-N
XLogP6.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 18833128) is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VSNWBKVJWFENAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O/c25-15-11-12-19-17(14-15)16(23(31-19)21-9-3-4-13-29-21)6-5-10-22(32)30-20-8-2-1-7-18(20)24(26,27)28/h1-4,7-9,11-14,31H,5-6,10H2,(H,30,32).
What are the key properties of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 441.43 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 18833128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).