1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea

C19H18Cl3N3O3 — CID 10114305

IUPAC1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
SMILESO=C(NCC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl3N3O3/c20-13-2-4-14(5-3-13)24-19(27)23-10-15-11-25(7-8-28-15)18(26)12-1-6-16(21)17(22)9-12/h1-6,9,15H,7-8,10-11H2,(H2,23,24,27)
InChIKeyMZOYOSRKYQNISE-UHFFFAOYSA-N
MW442.73 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea

1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea (PubChem CID 10114305) has the molecular formula C19H18Cl3N3O3 and a molecular weight of 442.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
PubChem CID10114305
Molecular FormulaC19H18Cl3N3O3
Molecular Weight442.73 g/mol
Exact Mass441.04
IUPAC Name1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
SMILESO=C(NCC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl3N3O3/c20-13-2-4-14(5-3-13)24-19(27)23-10-15-11-25(7-8-28-15)18(26)12-1-6-16(21)17(22)9-12/h1-6,9,15H,7-8,10-11H2,(H2,23,24,27)
InChIKeyMZOYOSRKYQNISE-UHFFFAOYSA-N
XLogP4.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea with MolForge

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Related Compounds

(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(1,4-dioxan-2-ylmethyl)urea
CID 118765538
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42861671
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea (CID 10114305) is 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea is O=C(NCC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea?
The InChIKey is MZOYOSRKYQNISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3/c20-13-2-4-14(5-3-13)24-19(27)23-10-15-11-25(7-8-28-15)18(26)12-1-6-16(21)17(22)9-12/h1-6,9,15H,7-8,10-11H2,(H2,23,24,27).
What are the key properties of 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea?
1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea has a molecular weight of 442.73 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 10114305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).