1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea

C11H13Cl2N3O2 — CID 3850072

IUPAC1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
SMILESCN(C)C=NC(=O)NOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-16(2)7-14-11(17)15-18-6-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyUCZOOPPLUIDQPY-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.72
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea

1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea (PubChem CID 3850072) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
PubChem CID3850072
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
SMILESCN(C)C=NC(=O)NOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-16(2)7-14-11(17)15-18-6-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyUCZOOPPLUIDQPY-UHFFFAOYSA-N
XLogP2.72
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Clociguanil
CID 71816
2-N-[(3,4-dichlorophenyl)methoxy]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
CID 44522890
1-[(3,4-Dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44522969
1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522978
1-[1-[(3,4-Dichlorophenyl)methoxy]-6,6-dimethyl-4-(methylcarbamoylamino)-1,3,5-triazin-2-yl]-3-methylurea
CID 44523023
1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522873
Clociguanil hydrochloride
CID 14274724
N-[(2,4-dichlorobenzyl)oxy]-N-[(methoxyimino)methyl]urea
CID 135512312
(1E)-1-[amino-[(3,4-dichlorophenyl)methoxyamino]methylidene]-2-propan-2-ylguanidine
CID 19019600
1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine
CID 3008704
1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine
CID 3008705
1-[(2,4-Dichlorophenyl)methoxy]-3-(methoxyiminomethyl)urea
CID 135486300

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea (CID 3850072) is 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea is CN(C)C=NC(=O)NOCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The InChIKey is UCZOOPPLUIDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-16(2)7-14-11(17)15-18-6-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea has a molecular weight of 290.15 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea is sourced from PubChem (CID 3850072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).