1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea

C10H12Cl2N2O2 — CID 4985864

IUPAC1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCCl
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9-3-2-7(12)6-8(9)14-10(15)13-5-4-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyJJHRSFHJNBFGHE-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea

1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea (PubChem CID 4985864) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea
PubChem CID4985864
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCCl
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9-3-2-7(12)6-8(9)14-10(15)13-5-4-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyJJHRSFHJNBFGHE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)thiourea
CID 2732660
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
Urea, N-(3-chloro-4-methoxyphenyl)-N'-methyl-
CID 30250
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
1-(5-Chloro-2-methoxyphenyl)-3-cyclopentylthiourea
CID 972567
1-(5-Chloro-2-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 1940210
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
ethyl 4-{[(5-chloro-2-methoxyanilino)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
CID 2812259
1-[(2,2-Dichlorocyclopropyl)methyl]-3-(2-methoxyphenyl)urea
CID 4885084
1-(4-Chlorophenyl)-3-(2-ethoxyphenyl)urea
CID 295292
N-(5-chloro-2-methoxyphenyl)-N'-cyclohexylurea
CID 742626
1-(5-Chloro-2-methoxyphenyl)piperazine
CID 2735754

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea (CID 4985864) is 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea is COc1ccc(Cl)cc1NC(=O)NCCCl.
What is the InChIKey of 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea?
The InChIKey is JJHRSFHJNBFGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-16-9-3-2-7(12)6-8(9)14-10(15)13-5-4-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea?
1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea has a molecular weight of 263.12 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(5-chloro-2-methoxyphenyl)urea is sourced from PubChem (CID 4985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).