(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C17H13Cl4NO2 — CID 121134531

IUPAC(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl4NO2/c18-11-1-2-15(21)14(8-11)17(23)22-3-4-24-16(9-22)10-5-12(19)7-13(20)6-10/h1-2,5-8,16H,3-4,9H2
InChIKeyUCKLXRLVZWVAMM-UHFFFAOYSA-N
MW405.11 g/mol
LogP5.51
Rot. Bonds2

About (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 121134531) has the molecular formula C17H13Cl4NO2 and a molecular weight of 405.11 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID121134531
Molecular FormulaC17H13Cl4NO2
Molecular Weight405.11 g/mol
Exact Mass402.97
IUPAC Name(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl4NO2/c18-11-1-2-15(21)14(8-11)17(23)22-3-4-24-16(9-22)10-5-12(19)7-13(20)6-10/h1-2,5-8,16H,3-4,9H2
InChIKeyUCKLXRLVZWVAMM-UHFFFAOYSA-N
XLogP5.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.11
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
CID 121134485
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 121134531) is (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is UCKLXRLVZWVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl4NO2/c18-11-1-2-15(21)14(8-11)17(23)22-3-4-24-16(9-22)10-5-12(19)7-13(20)6-10/h1-2,5-8,16H,3-4,9H2.
What are the key properties of (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 405.11 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).