N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide

C24H25FN2O2 — CID 47087966

IUPACN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C24H25FN2O2/c25-21-6-3-5-20(15-21)17-27(18-23-7-4-14-29-23)24(28)16-19-8-10-22(11-9-19)26-12-1-2-13-26/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2
InChIKeyMFYFURMNPLMDQO-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.37
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide

N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 47087966) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID47087966
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C24H25FN2O2/c25-21-6-3-5-20(15-21)17-27(18-23-7-4-14-29-23)24(28)16-19-8-10-22(11-9-19)26-12-1-2-13-26/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2
InChIKeyMFYFURMNPLMDQO-UHFFFAOYSA-N
XLogP4.37
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)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

N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42238955
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94364637
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562
4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 60622855
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide (CID 47087966) is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is MFYFURMNPLMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-21-6-3-5-20(15-21)17-27(18-23-7-4-14-29-23)24(28)16-19-8-10-22(11-9-19)26-12-1-2-13-26/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 392.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 47087966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).