2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C18H18FN3O — CID 109002455

IUPAC2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1F)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18FN3O/c19-15-6-2-4-8-17(15)22-12-18(23)20-10-9-13-11-21-16-7-3-1-5-14(13)16/h1-8,11,21-22H,9-10,12H2,(H,20,23)
InChIKeyVGNZYKVLKOKLCU-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 109002455) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID109002455
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1F)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18FN3O/c19-15-6-2-4-8-17(15)22-12-18(23)20-10-9-13-11-21-16-7-3-1-5-14(13)16/h1-8,11,21-22H,9-10,12H2,(H,20,23)
InChIKeyVGNZYKVLKOKLCU-UHFFFAOYSA-N
XLogP3.08
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 109002455) is 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CNc1ccccc1F)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VGNZYKVLKOKLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-6-2-4-8-17(15)22-12-18(23)20-10-9-13-11-21-16-7-3-1-5-14(13)16/h1-8,11,21-22H,9-10,12H2,(H,20,23).
What are the key properties of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 311.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 109002455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).