(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone

C18H17BrFNO2 — CID 47914309

IUPAC(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2Br)CC(c2ccccc2)O1
InChIInChI=1S/C18H17BrFNO2/c1-12-10-21(11-17(23-12)13-5-3-2-4-6-13)18(22)15-8-7-14(20)9-16(15)19/h2-9,12,17H,10-11H2,1H3
InChIKeyQASVXYLXUWAFQM-UHFFFAOYSA-N
MW378.24 g/mol
LogP4.19
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone

(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone (PubChem CID 47914309) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
PubChem CID47914309
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC Name(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2Br)CC(c2ccccc2)O1
InChIInChI=1S/C18H17BrFNO2/c1-12-10-21(11-17(23-12)13-5-3-2-4-6-13)18(22)15-8-7-14(20)9-16(15)19/h2-9,12,17H,10-11H2,1H3
InChIKeyQASVXYLXUWAFQM-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-hydroxy-5-methylphenyl)-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95034994
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118
(2-bromo-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564487
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 97003375
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone (CID 47914309) is (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(F)cc2Br)CC(c2ccccc2)O1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The InChIKey is QASVXYLXUWAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c1-12-10-21(11-17(23-12)13-5-3-2-4-6-13)18(22)15-8-7-14(20)9-16(15)19/h2-9,12,17H,10-11H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone has a molecular weight of 378.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 47914309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).