1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea

C10H12Cl2N2O2 — CID 21398163

IUPAC1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea
SMILESCON(C)C(=O)N(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2N2O2/c1-13(16-2)10(15)14(7-11)9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKeyNTJAYXZSSHJVLX-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.96
Rot. Bonds3

About 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea

1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea (PubChem CID 21398163) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea.

Molecular Properties

Compound Name1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea
PubChem CID21398163
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea
SMILESCON(C)C(=O)N(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2N2O2/c1-13(16-2)10(15)14(7-11)9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKeyNTJAYXZSSHJVLX-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea?
The IUPAC name of 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea (CID 21398163) is 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea.
What is the SMILES notation for 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea?
The canonical SMILES for 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea is CON(C)C(=O)N(CCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea?
The InChIKey is NTJAYXZSSHJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-13(16-2)10(15)14(7-11)9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea?
1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea has a molecular weight of 263.12 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea is sourced from PubChem (CID 21398163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).