2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide

C26H24ClFN2O3 — CID 2314369

IUPAC2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClFN2O3/c27-20-9-5-19(6-10-20)25(31)22-3-1-2-4-23(22)26(32)29-17-24(30-13-15-33-16-14-30)18-7-11-21(28)12-8-18/h1-12,24H,13-17H2,(H,29,32)/t24-/m0/s1
InChIKeyXDXPCZOFIRGCHC-DEOSSOPVSA-N
MW466.94 g/mol
LogP4.51
Rot. Bonds7

About 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide

2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 2314369) has the molecular formula C26H24ClFN2O3 and a molecular weight of 466.94 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID2314369
Molecular FormulaC26H24ClFN2O3
Molecular Weight466.94 g/mol
Exact Mass466.15
IUPAC Name2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClFN2O3/c27-20-9-5-19(6-10-20)25(31)22-3-1-2-4-23(22)26(32)29-17-24(30-13-15-33-16-14-30)18-7-11-21(28)12-8-18/h1-12,24H,13-17H2,(H,29,32)/t24-/m0/s1
InChIKeyXDXPCZOFIRGCHC-DEOSSOPVSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[(2R)-1-[[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508551
N-[(2S)-1-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508548
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60596930

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide (CID 2314369) is 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide is O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is XDXPCZOFIRGCHC-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24ClFN2O3/c27-20-9-5-19(6-10-20)25(31)22-3-1-2-4-23(22)26(32)29-17-24(30-13-15-33-16-14-30)18-7-11-21(28)12-8-18/h1-12,24H,13-17H2,(H,29,32)/t24-/m0/s1.
What are the key properties of 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 466.94 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 2314369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).