1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea

C10H12Cl2N2O2 — CID 108880980

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
SMILESCCNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-2-13-10(15)14-6-16-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyZEJYZQPGBBKPFR-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea

1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea (PubChem CID 108880980) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
PubChem CID108880980
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
SMILESCCNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-2-13-10(15)14-6-16-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyZEJYZQPGBBKPFR-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(3-bromophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881160
1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea
CID 108880890

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea (CID 108880980) is 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea is CCNC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea?
The InChIKey is ZEJYZQPGBBKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-2-13-10(15)14-6-16-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea?
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea has a molecular weight of 263.12 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea is sourced from PubChem (CID 108880980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).