1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one

C20H21Cl2NO2 — CID 121134473

IUPAC1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H21Cl2NO2/c21-17-11-16(12-18(22)13-17)19-14-23(9-10-25-19)20(24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-13,19H,4,7-10,14H2
InChIKeyWBDQQQTYCFBXGJ-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.92
Rot. Bonds5

About 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one

1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one (PubChem CID 121134473) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
PubChem CID121134473
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H21Cl2NO2/c21-17-11-16(12-18(22)13-17)19-14-23(9-10-25-19)20(24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-13,19H,4,7-10,14H2
InChIKeyWBDQQQTYCFBXGJ-UHFFFAOYSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590
1-[(2S)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 97106593
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 97106602
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one (CID 121134473) is 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one?
The InChIKey is WBDQQQTYCFBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c21-17-11-16(12-18(22)13-17)19-14-23(9-10-25-19)20(24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-13,19H,4,7-10,14H2.
What are the key properties of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one?
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one has a molecular weight of 378.30 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 121134473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).