[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone

C17H14ClF2NO2 — CID 56741296

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14ClF2NO2/c18-12-6-4-11(5-7-12)15-10-21(8-9-23-15)17(22)16-13(19)2-1-3-14(16)20/h1-7,15H,8-10H2
InChIKeyXAASWAQKMHAAJU-UHFFFAOYSA-N
MW337.75 g/mol
LogP3.83
Rot. Bonds2

About [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone (PubChem CID 56741296) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone
PubChem CID56741296
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14ClF2NO2/c18-12-6-4-11(5-7-12)15-10-21(8-9-23-15)17(22)16-13(19)2-1-3-14(16)20/h1-7,15H,8-10H2
InChIKeyXAASWAQKMHAAJU-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bibb-515
CID 501398
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
4-[(2S)-1-[(4-chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 17756888
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
CID 66976494
[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360821
4-[1-[(4-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 6096439
(1-Benzylpiperidin-4-yl)methyl 4-chlorobenzoate
CID 44301157
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2357964
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2362118
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315590
3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315691

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone (CID 56741296) is [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is XAASWAQKMHAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c18-12-6-4-11(5-7-12)15-10-21(8-9-23-15)17(22)16-13(19)2-1-3-14(16)20/h1-7,15H,8-10H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 337.75 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 56741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).