3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

C21H24ClFN2O2 — CID 51334262

IUPAC3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H24ClFN2O2/c22-18-3-1-2-16(14-18)4-9-21(26)24-15-20(25-10-12-27-13-11-25)17-5-7-19(23)8-6-17/h1-3,5-8,14,20H,4,9-13,15H2,(H,24,26)
InChIKeyPJBABFQPRBDVNO-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.60
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 51334262) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID51334262
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H24ClFN2O2/c22-18-3-1-2-16(14-18)4-9-21(26)24-15-20(25-10-12-27-13-11-25)17-5-7-19(23)8-6-17/h1-3,5-8,14,20H,4,9-13,15H2,(H,24,26)
InChIKeyPJBABFQPRBDVNO-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574928
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
CID 51334260
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 51334262) is 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is O=C(CCc1cccc(Cl)c1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is PJBABFQPRBDVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c22-18-3-1-2-16(14-18)4-9-21(26)24-15-20(25-10-12-27-13-11-25)17-5-7-19(23)8-6-17/h1-3,5-8,14,20H,4,9-13,15H2,(H,24,26).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 390.89 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 51334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).