(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone

C17H15Cl2NO2 — CID 16894689

IUPAC(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-14-7-6-13(10-15(14)19)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyQFOKGFAEZSAMQF-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.21
Rot. Bonds2

About (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone

(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894689) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894689
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-14-7-6-13(10-15(14)19)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyQFOKGFAEZSAMQF-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1''-[3-(3,4-Dichlorophenyl)-4-methyl(phenyl)carboxamidobutyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9892984
4-(3,4-Dichlorobenzoyl)morpholine
CID 346717
[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360821
4-[1-[(3-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099523
1-(3,4-Dichlorobenzoyl)-4-[1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 6099555
4-[1-[(4-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099892
1-(3,4-dichlorobenzoyl)-4-[(2S)-1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 25010911
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
1-[1-[2-[4-(3-Chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528723
(4-Chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528727
Acetic acid 1-[4-(benzoyl-methyl-amino)-3-(3,4-dichloro-phenyl)-butyl]-4-phenyl-piperidin-4-yl ester
CID 44383850
N-[2-(3,4-Dichloro-phenyl)-4-(4-ethoxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44384522

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894689) is (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is QFOKGFAEZSAMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-14-7-6-13(10-15(14)19)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2.
What are the key properties of (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
(3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 336.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).