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

C22H24ClFN2O2 — CID 155501310

IUPAC(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H24ClFN2O2/c23-17-8-9-18(19(24)14-17)22(27)26-12-13-28-20(15-25-10-4-5-11-25)21(26)16-6-2-1-3-7-16/h1-3,6-9,14,20-21H,4-5,10-13,15H2/t20-,21-/m0/s1
InChIKeyRPTSUNWAVDCHRV-SFTDATJTSA-N
MW402.90 g/mol
LogP4.16
Rot. Bonds4

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

(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155501310) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155501310
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H24ClFN2O2/c23-17-8-9-18(19(24)14-17)22(27)26-12-13-28-20(15-25-10-4-5-11-25)21(26)16-6-2-1-3-7-16/h1-3,6-9,14,20-21H,4-5,10-13,15H2/t20-,21-/m0/s1
InChIKeyRPTSUNWAVDCHRV-SFTDATJTSA-N
XLogP4.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519
(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155504611
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155509773
6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155495404
[4-(2-aminoethyl)phenyl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155498735
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155492890
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155501310) is (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1F)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is RPTSUNWAVDCHRV-SFTDATJTSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-17-8-9-18(19(24)14-17)22(27)26-12-13-28-20(15-25-10-4-5-11-25)21(26)16-6-2-1-3-7-16/h1-3,6-9,14,20-21H,4-5,10-13,15H2/t20-,21-/m0/s1.
What are the key properties of (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 402.90 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155501310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).