4-(5-fluoro-7H-indol-3-yl)butanamide

C12H13FN2O — CID 68756717

IUPAC4-(5-fluoro-7H-indol-3-yl)butanamide
SMILESNC(=O)CCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4,6-7H,1-3,5H2,(H2,14,16)
InChIKeyOXERPHXTZBGYIR-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.16
Rot. Bonds4

About 4-(5-fluoro-7H-indol-3-yl)butanamide

4-(5-fluoro-7H-indol-3-yl)butanamide (PubChem CID 68756717) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(5-fluoro-7H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-(5-fluoro-7H-indol-3-yl)butanamide
PubChem CID68756717
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-(5-fluoro-7H-indol-3-yl)butanamide
SMILESNC(=O)CCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4,6-7H,1-3,5H2,(H2,14,16)
InChIKeyOXERPHXTZBGYIR-UHFFFAOYSA-N
XLogP2.16
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-7H-indol-3-yl)acetamide
CID 67231230
2-(5,6-difluoro-7H-indol-3-yl)acetamide
CID 67232622
2-(4-fluoro-7H-indol-3-yl)acetamide
CID 67232914
N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
CID 68606003
4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide
CID 68606006
4,4-difluoro-2-(5-fluoro-7H-indol-3-yl)butanamide
CID 68606130
4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide
CID 68609048
N-(2,2-difluoroethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
CID 87513657
2-(7-methyl-7H-indol-3-yl)acetamide
CID 67230877
2-(2-methyl-7H-indol-3-yl)acetamide
CID 67230928
2-(5-methyl-7H-indol-3-yl)acetamide
CID 67231053
2-(6-methyl-7H-indol-3-yl)acetamide
CID 67232347

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-7H-indol-3-yl)butanamide?
The IUPAC name of 4-(5-fluoro-7H-indol-3-yl)butanamide (CID 68756717) is 4-(5-fluoro-7H-indol-3-yl)butanamide.
What is the SMILES notation for 4-(5-fluoro-7H-indol-3-yl)butanamide?
The canonical SMILES for 4-(5-fluoro-7H-indol-3-yl)butanamide is NC(=O)CCCC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of 4-(5-fluoro-7H-indol-3-yl)butanamide?
The InChIKey is OXERPHXTZBGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4,6-7H,1-3,5H2,(H2,14,16).
What are the key properties of 4-(5-fluoro-7H-indol-3-yl)butanamide?
4-(5-fluoro-7H-indol-3-yl)butanamide has a molecular weight of 220.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-7H-indol-3-yl)butanamide is sourced from PubChem (CID 68756717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).