2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide

C22H21FN2O3 — CID 5312085

IUPAC2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C22H21FN2O3/c23-19-9-3-1-6-15(19)13-25-14-18(17-8-2-4-10-20(17)25)21(26)22(27)24-12-16-7-5-11-28-16/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,24,27)
InChIKeyRVTZEGYAPUKIKE-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.31
Rot. Bonds6

About 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide

2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5312085) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5312085
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C22H21FN2O3/c23-19-9-3-1-6-15(19)13-25-14-18(17-8-2-4-10-20(17)25)21(26)22(27)24-12-16-7-5-11-28-16/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,24,27)
InChIKeyRVTZEGYAPUKIKE-UHFFFAOYSA-N
XLogP3.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide 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

2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
CID 71024492
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen
CID 154688189
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
CID 5303618
(E)-3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 126212174
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide (CID 5312085) is 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide is O=C(NCC1CCCO1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RVTZEGYAPUKIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-19-9-3-1-6-15(19)13-25-14-18(17-8-2-4-10-20(17)25)21(26)22(27)24-12-16-7-5-11-28-16/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,24,27).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5312085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).