2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

C22H22FN3O — CID 113209917

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C22H22FN3O/c1-22(2,18-13-26-20-8-7-15(23)11-17(18)20)21(27)24-10-9-14-12-25-19-6-4-3-5-16(14)19/h3-8,11-13,25-26H,9-10H2,1-2H3,(H,24,27)
InChIKeyYPTJOWQPWRPLSC-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.42
Rot. Bonds5

About 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 113209917) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID113209917
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C22H22FN3O/c1-22(2,18-13-26-20-8-7-15(23)11-17(18)20)21(27)24-10-9-14-12-25-19-6-4-3-5-16(14)19/h3-8,11-13,25-26H,9-10H2,1-2H3,(H,24,27)
InChIKeyYPTJOWQPWRPLSC-UHFFFAOYSA-N
XLogP4.42
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965
2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113208953
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 113209917) is 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is YPTJOWQPWRPLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-22(2,18-13-26-20-8-7-15(23)11-17(18)20)21(27)24-10-9-14-12-25-19-6-4-3-5-16(14)19/h3-8,11-13,25-26H,9-10H2,1-2H3,(H,24,27).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113209917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).