1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone

C18H18ClNO2 — CID 71319479

IUPAC1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2/c19-16-8-6-15(7-9-16)18(21)17(14-4-2-1-3-5-14)20-10-12-22-13-11-20/h1-9,17H,10-13H2
InChIKeyNSCXCYMVBDUSMX-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone

1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone (PubChem CID 71319479) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
PubChem CID71319479
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2/c19-16-8-6-15(7-9-16)18(21)17(14-4-2-1-3-5-14)20-10-12-22-13-11-20/h1-9,17H,10-13H2
InChIKeyNSCXCYMVBDUSMX-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
CID 18530910
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
CID 91757020
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
CID 21228902
2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone
CID 175303916

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone (CID 71319479) is 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone is O=C(c1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone?
The InChIKey is NSCXCYMVBDUSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-16-8-6-15(7-9-16)18(21)17(14-4-2-1-3-5-14)20-10-12-22-13-11-20/h1-9,17H,10-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone?
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone has a molecular weight of 315.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 71319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).