4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide

C14H18FN3O — CID 68609048

IUPAC4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide
SMILESCN(C)CCC(C(N)=O)C1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C14H18FN3O/c1-18(2)6-5-10(14(16)19)12-8-17-13-4-3-9(15)7-11(12)13/h3,7-8,10H,4-6H2,1-2H3,(H2,16,19)
InChIKeyUWUMMZYTCWGOBB-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.56
Rot. Bonds5

About 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide

4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide (PubChem CID 68609048) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide
PubChem CID68609048
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide
SMILESCN(C)CCC(C(N)=O)C1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C14H18FN3O/c1-18(2)6-5-10(14(16)19)12-8-17-13-4-3-9(15)7-11(12)13/h3,7-8,10H,4-6H2,1-2H3,(H2,16,19)
InChIKeyUWUMMZYTCWGOBB-UHFFFAOYSA-N
XLogP1.56
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide?
The IUPAC name of 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide (CID 68609048) is 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide?
The canonical SMILES for 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide is CN(C)CCC(C(N)=O)C1=CN=C2CC=C(F)C=C12.
What is the InChIKey of 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide?
The InChIKey is UWUMMZYTCWGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18(2)6-5-10(14(16)19)12-8-17-13-4-3-9(15)7-11(12)13/h3,7-8,10H,4-6H2,1-2H3,(H2,16,19).
What are the key properties of 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide?
4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide has a molecular weight of 263.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(5-fluoro-7H-indol-3-yl)butanamide is sourced from PubChem (CID 68609048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).