3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C25H30FN3O — CID 91635109

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCN3CCCC3)c3ccccc3F)c[nH]c12
InChIInChI=1S/C25H30FN3O/c1-2-18-8-7-10-20-22(17-28-25(18)20)21(19-9-3-4-11-23(19)26)16-24(30)27-12-15-29-13-5-6-14-29/h3-4,7-11,17,21,28H,2,5-6,12-16H2,1H3,(H,27,30)
InChIKeyNRJULMUQRBQEHI-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.60
Rot. Bonds8

About 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 91635109) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID91635109
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCN3CCCC3)c3ccccc3F)c[nH]c12
InChIInChI=1S/C25H30FN3O/c1-2-18-8-7-10-20-22(17-28-25(18)20)21(19-9-3-4-11-23(19)26)16-24(30)27-12-15-29-13-5-6-14-29/h3-4,7-11,17,21,28H,2,5-6,12-16H2,1H3,(H,27,30)
InChIKeyNRJULMUQRBQEHI-UHFFFAOYSA-N
XLogP4.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804479
(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93125176
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 24718657
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 91635109) is 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is CCc1cccc2c(C(CC(=O)NCCN3CCCC3)c3ccccc3F)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is NRJULMUQRBQEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-2-18-8-7-10-20-22(17-28-25(18)20)21(19-9-3-4-11-23(19)26)16-24(30)27-12-15-29-13-5-6-14-29/h3-4,7-11,17,21,28H,2,5-6,12-16H2,1H3,(H,27,30).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 407.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 91635109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).