(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone

C20H22FNO4 — CID 45238113

IUPAC(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(Cc3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C20H22FNO4/c1-24-18-7-6-15(12-19(18)25-2)20(23)22-8-9-26-17(13-22)11-14-4-3-5-16(21)10-14/h3-7,10,12,17H,8-9,11,13H2,1-2H3
InChIKeyONBUCGIHAZHMAP-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.93
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone

(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone (PubChem CID 45238113) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
PubChem CID45238113
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(Cc3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C20H22FNO4/c1-24-18-7-6-15(12-19(18)25-2)20(23)22-8-9-26-17(13-22)11-14-4-3-5-16(21)10-14/h3-7,10,12,17H,8-9,11,13H2,1-2H3
InChIKeyONBUCGIHAZHMAP-UHFFFAOYSA-N
XLogP2.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060337
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 56877268
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone (CID 45238113) is (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(Cc3cccc(F)c3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is ONBUCGIHAZHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-24-18-7-6-15(12-19(18)25-2)20(23)22-8-9-26-17(13-22)11-14-4-3-5-16(21)10-14/h3-7,10,12,17H,8-9,11,13H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 359.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45238113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).