3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C23H25FN4O3 — CID 91635094

IUPAC3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCCC1
InChIInChI=1S/C23H25FN4O3/c24-17-5-3-16(4-6-17)19(14-23(29)25-9-12-27-10-1-2-11-27)21-15-26-22-8-7-18(28(30)31)13-20(21)22/h3-8,13,15,19,26H,1-2,9-12,14H2,(H,25,29)
InChIKeyNJJMKHZALZKHEY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.95
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 91635094) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID91635094
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCCC1
InChIInChI=1S/C23H25FN4O3/c24-17-5-3-16(4-6-17)19(14-23(29)25-9-12-27-10-1-2-11-27)21-15-26-22-8-7-18(28(30)31)13-20(21)22/h3-8,13,15,19,26H,1-2,9-12,14H2,(H,25,29)
InChIKeyNJJMKHZALZKHEY-UHFFFAOYSA-N
XLogP3.95
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-5-methylphenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 90488529
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 93120210
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3S)-3-[3-(4-chlorophenoxy)phenyl]-N-(2-morpholin-4-ylethyl)-3-(5-nitro-1H-indol-3-yl)propanamide
CID 98444535
(3R)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93120215
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide
CID 93120202
3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83290129

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 91635094) is 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is O=C(CC(c1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is NJJMKHZALZKHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-17-5-3-16(4-6-17)19(14-23(29)25-9-12-27-10-1-2-11-27)21-15-26-22-8-7-18(28(30)31)13-20(21)22/h3-8,13,15,19,26H,1-2,9-12,14H2,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 424.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 91635094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).