2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone

C18H22F2N2O3 — CID 56881885

IUPAC2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone
SMILESCOc1ccc(F)c(F)c1CN1CCOCC1CC(=O)N1CC=CC1
InChIInChI=1S/C18H22F2N2O3/c1-24-16-5-4-15(19)18(20)14(16)11-22-8-9-25-12-13(22)10-17(23)21-6-2-3-7-21/h2-5,13H,6-12H2,1H3
InChIKeyKMUKPSDMZYLHFJ-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone

2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone (PubChem CID 56881885) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone
PubChem CID56881885
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone
SMILESCOc1ccc(F)c(F)c1CN1CCOCC1CC(=O)N1CC=CC1
InChIInChI=1S/C18H22F2N2O3/c1-24-16-5-4-15(19)18(20)14(16)11-22-8-9-25-12-13(22)10-17(23)21-6-2-3-7-21/h2-5,13H,6-12H2,1H3
InChIKeyKMUKPSDMZYLHFJ-UHFFFAOYSA-N
XLogP1.96
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone 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

(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95883032
2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95886548
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
CID 72867141
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45195557

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone (CID 56881885) is 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone is COc1ccc(F)c(F)c1CN1CCOCC1CC(=O)N1CC=CC1.
What is the InChIKey of 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone?
The InChIKey is KMUKPSDMZYLHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-24-16-5-4-15(19)18(20)14(16)11-22-8-9-25-12-13(22)10-17(23)21-6-2-3-7-21/h2-5,13H,6-12H2,1H3.
What are the key properties of 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone?
2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone has a molecular weight of 352.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 56881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).