3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea

C13H17Cl2N3O2 — CID 107654250

IUPAC3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
SMILESCN(CC1CNCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-18(8-12-7-16-2-3-20-12)13(19)17-11-5-9(14)4-10(15)6-11/h4-6,12,16H,2-3,7-8H2,1H3,(H,17,19)
InChIKeyTZVLOXFXDDSPRM-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.45
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea

3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea (PubChem CID 107654250) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
PubChem CID107654250
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
SMILESCN(CC1CNCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-18(8-12-7-16-2-3-20-12)13(19)17-11-5-9(14)4-10(15)6-11/h4-6,12,16H,2-3,7-8H2,1H3,(H,17,19)
InChIKeyTZVLOXFXDDSPRM-UHFFFAOYSA-N
XLogP2.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
5-fluoro-N-methyl-N-(morpholin-2-ylmethyl)pyridine-3-carboxamide
CID 104786261
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
3-(4-chlorophenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
CID 3723720
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
CID 107963714
3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
CID 3864495
1-ethyl-1-methyl-3-(morpholin-2-ylmethyl)urea
CID 79160698
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea?
The IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea (CID 107654250) is 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea is CN(CC1CNCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea?
The InChIKey is TZVLOXFXDDSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-18(8-12-7-16-2-3-20-12)13(19)17-11-5-9(14)4-10(15)6-11/h4-6,12,16H,2-3,7-8H2,1H3,(H,17,19).
What are the key properties of 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea?
3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea has a molecular weight of 318.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea is sourced from PubChem (CID 107654250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).