N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide

C22H25FN2O3 — CID 49393187

IUPACN-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H25FN2O3/c1-14-20-18(8-3-9-19(20)26)24-21(14)22(27)25(13-17-7-4-10-28-17)12-15-5-2-6-16(23)11-15/h2,5-6,11,17,24H,3-4,7-10,12-13H2,1H3
InChIKeyYDBRBFHMBLWLKW-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.80
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 49393187) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID49393187
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H25FN2O3/c1-14-20-18(8-3-9-19(20)26)24-21(14)22(27)25(13-17-7-4-10-28-17)12-15-5-2-6-16(23)11-15/h2,5-6,11,17,24H,3-4,7-10,12-13H2,1H3
InChIKeyYDBRBFHMBLWLKW-UHFFFAOYSA-N
XLogP3.80
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide 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

N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
4-bromo-N-[(3-fluorophenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 49393069
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
ethyl 4-[[(3-fluorobenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 92502296
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide (CID 49393187) is N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is YDBRBFHMBLWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-20-18(8-3-9-19(20)26)24-21(14)22(27)25(13-17-7-4-10-28-17)12-15-5-2-6-16(23)11-15/h2,5-6,11,17,24H,3-4,7-10,12-13H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 49393187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).