(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide

C23H26ClFN2O3 — CID 154878120

IUPAC(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C23H26ClFN2O3/c1-26(15-17-4-2-3-5-21(17)27-9-12-29-13-10-27)23(28)18-8-11-30-22(18)16-6-7-19(24)20(25)14-16/h2-7,14,18,22H,8-13,15H2,1H3/t18-,22+/m1/s1
InChIKeyPYFWXLOFHUEFHK-GCJKJVERSA-N
MW432.92 g/mol
LogP4.05
Rot. Bonds5

About (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide

(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide (PubChem CID 154878120) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide
PubChem CID154878120
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C23H26ClFN2O3/c1-26(15-17-4-2-3-5-21(17)27-9-12-29-13-10-27)23(28)18-8-11-30-22(18)16-6-7-19(24)20(25)14-16/h2-7,14,18,22H,8-13,15H2,1H3/t18-,22+/m1/s1
InChIKeyPYFWXLOFHUEFHK-GCJKJVERSA-N
XLogP4.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
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CID 120938281
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832748
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 43020169
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide (CID 154878120) is (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is PYFWXLOFHUEFHK-GCJKJVERSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c1-26(15-17-4-2-3-5-21(17)27-9-12-29-13-10-27)23(28)18-8-11-30-22(18)16-6-7-19(24)20(25)14-16/h2-7,14,18,22H,8-13,15H2,1H3/t18-,22+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide?
(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 154878120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).