1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea

C12H14Cl2N2O2 — CID 4885084

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-18-10-5-3-2-4-9(10)16-11(17)15-7-8-6-12(8,13)14/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyPCSYGMJTGWGWIU-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea

1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 4885084) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID4885084
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-18-10-5-3-2-4-9(10)16-11(17)15-7-8-6-12(8,13)14/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyPCSYGMJTGWGWIU-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea (CID 4885084) is 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is PCSYGMJTGWGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-10-5-3-2-4-9(10)16-11(17)15-7-8-6-12(8,13)14/h2-5,8H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea?
1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 289.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 4885084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).