N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide

C14H17FN2O — CID 82794493

IUPACN,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c1-3-16(4-2)14(18)10-17-9-8-11-12(15)6-5-7-13(11)17/h5-9H,3-4,10H2,1-2H3
InChIKeyHQJKCFVSWXLZOY-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.65
Rot. Bonds4

About N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide

N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide (PubChem CID 82794493) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
PubChem CID82794493
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c1-3-16(4-2)14(18)10-17-9-8-11-12(15)6-5-7-13(11)17/h5-9H,3-4,10H2,1-2H3
InChIKeyHQJKCFVSWXLZOY-UHFFFAOYSA-N
XLogP2.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
propan-2-yl 2-(4-fluoroindol-1-yl)acetate
CID 82793078
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
(Z)-2-ethyl-4-(4-fluoroindol-1-yl)but-2-enoic acid
CID 82791576
ethyl (E)-4-(4-fluoroindol-1-yl)but-2-enoate
CID 82792156
2-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide (CID 82794493) is N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide is CCN(CC)C(=O)Cn1ccc2c(F)cccc21.
What is the InChIKey of N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide?
The InChIKey is HQJKCFVSWXLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-16(4-2)14(18)10-17-9-8-11-12(15)6-5-7-13(11)17/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide?
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide has a molecular weight of 248.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide is sourced from PubChem (CID 82794493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).