[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

C20H25FN2O — CID 91838120

IUPAC[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C20H25FN2O/c1-15(2)22-13-7-11-19(22)20(24)23-12-5-3-4-10-18(23)16-8-6-9-17(21)14-16/h6-9,11,13-15,18H,3-5,10,12H2,1-2H3
InChIKeyMYDJFIIGKFMVJD-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.97
Rot. Bonds3

About [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 91838120) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID91838120
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C20H25FN2O/c1-15(2)22-13-7-11-19(22)20(24)23-12-5-3-4-10-18(23)16-8-6-9-17(21)14-16/h6-9,11,13-15,18H,3-5,10,12H2,1-2H3
InChIKeyMYDJFIIGKFMVJD-UHFFFAOYSA-N
XLogP4.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone 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-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (CID 91838120) is [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is CC(C)n1cccc1C(=O)N1CCCCCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is MYDJFIIGKFMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15(2)22-13-7-11-19(22)20(24)23-12-5-3-4-10-18(23)16-8-6-9-17(21)14-16/h6-9,11,13-15,18H,3-5,10,12H2,1-2H3.
What are the key properties of [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 328.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 91838120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).