4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide

C25H24FN3O — CID 164781458

IUPAC4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)NCc1ccncc1
InChIInChI=1S/C25H24FN3O/c26-23-9-3-1-6-21(23)18-29-17-20(22-8-2-4-10-24(22)29)7-5-11-25(30)28-16-19-12-14-27-15-13-19/h1-4,6,8-10,12-15,17H,5,7,11,16,18H2,(H,28,30)
InChIKeyTXKJLLAESPXQOM-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.86
Rot. Bonds8

About 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide

4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 164781458) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID164781458
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)NCc1ccncc1
InChIInChI=1S/C25H24FN3O/c26-23-9-3-1-6-21(23)18-29-17-20(22-8-2-4-10-24(22)29)7-5-11-25(30)28-16-19-12-14-27-15-13-19/h1-4,6,8-10,12-15,17H,5,7,11,16,18H2,(H,28,30)
InChIKeyTXKJLLAESPXQOM-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
1-ethyl-2-fluorobenzene;4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanal
CID 154688095
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 92721951
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899982
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 92721949

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide (CID 164781458) is 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide is O=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)NCc1ccncc1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is TXKJLLAESPXQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-23-9-3-1-6-21(23)18-29-17-20(22-8-2-4-10-24(22)29)7-5-11-25(30)28-16-19-12-14-27-15-13-19/h1-4,6,8-10,12-15,17H,5,7,11,16,18H2,(H,28,30).
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide?
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 401.49 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 164781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).