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

C14H10Cl4N2O2 — CID 108880841

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4N2O2/c15-8-1-4-13(12(18)5-8)22-7-19-14(21)20-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H2,19,20,21)
InChIKeyQVSRYPQRNKCXFQ-UHFFFAOYSA-N
MW380.06 g/mol
LogP5.46
Rot. Bonds4

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

1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 108880841) has the molecular formula C14H10Cl4N2O2 and a molecular weight of 380.06 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
PubChem CID108880841
Molecular FormulaC14H10Cl4N2O2
Molecular Weight380.06 g/mol
Exact Mass377.95
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4N2O2/c15-8-1-4-13(12(18)5-8)22-7-19-14(21)20-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H2,19,20,21)
InChIKeyQVSRYPQRNKCXFQ-UHFFFAOYSA-N
XLogP5.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.06
LogP ≤ 55.46
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

1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881068
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880972
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea (CID 108880841) is 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea is O=C(NCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is QVSRYPQRNKCXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O2/c15-8-1-4-13(12(18)5-8)22-7-19-14(21)20-9-2-3-10(16)11(17)6-9/h1-6H,7H2,(H2,19,20,21).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 380.06 g/mol, XLogP of 5.46, 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-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 108880841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).