1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone

C18H15ClFNO4 — CID 99823003

IUPAC1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc2c1OCO2)N1CCO[C@@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C18H15ClFNO4/c19-14-8-11(20)4-5-12(14)16-9-21(6-7-23-16)18(22)13-2-1-3-15-17(13)25-10-24-15/h1-5,8,16H,6-7,9-10H2/t16-/m1/s1
InChIKeyAXDUUKFMBLXUTO-MRXNPFEDSA-N
MW363.77 g/mol
LogP3.42
Rot. Bonds2

About 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone

1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 99823003) has the molecular formula C18H15ClFNO4 and a molecular weight of 363.77 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID99823003
Molecular FormulaC18H15ClFNO4
Molecular Weight363.77 g/mol
Exact Mass363.07
IUPAC Name1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc2c1OCO2)N1CCO[C@@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C18H15ClFNO4/c19-14-8-11(20)4-5-12(14)16-9-21(6-7-23-16)18(22)13-2-1-3-15-17(13)25-10-24-15/h1-5,8,16H,6-7,9-10H2/t16-/m1/s1
InChIKeyAXDUUKFMBLXUTO-MRXNPFEDSA-N
XLogP3.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55858815
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739
1,3-benzodioxol-4-yl-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129372630
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618947
[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618948
2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide
CID 136582999
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613125

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone (CID 99823003) is 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone is O=C(c1cccc2c1OCO2)N1CCO[C@@H](c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is AXDUUKFMBLXUTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClFNO4/c19-14-8-11(20)4-5-12(14)16-9-21(6-7-23-16)18(22)13-2-1-3-15-17(13)25-10-24-15/h1-5,8,16H,6-7,9-10H2/t16-/m1/s1.
What are the key properties of 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 363.77 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 99823003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).