2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione

C20H20ClNO3 — CID 11405651

IUPAC2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
SMILESO=C(c1ccccc1)C(CC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)18(20(24)16-4-2-1-3-5-16)14-19(23)22-10-12-25-13-11-22/h1-9,18H,10-14H2
InChIKeyHQHXGTMPHKFUJN-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione

2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione (PubChem CID 11405651) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
PubChem CID11405651
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
SMILESO=C(c1ccccc1)C(CC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)18(20(24)16-4-2-1-3-5-16)14-19(23)22-10-12-25-13-11-22/h1-9,18H,10-14H2
InChIKeyHQHXGTMPHKFUJN-UHFFFAOYSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277832
3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
CID 72875141
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
CID 94710037
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione?
The IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione (CID 11405651) is 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione?
The canonical SMILES for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione is O=C(c1ccccc1)C(CC(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione?
The InChIKey is HQHXGTMPHKFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)18(20(24)16-4-2-1-3-5-16)14-19(23)22-10-12-25-13-11-22/h1-9,18H,10-14H2.
What are the key properties of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione?
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione has a molecular weight of 357.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione is sourced from PubChem (CID 11405651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).