1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea

C11H15ClN2O4 — CID 110676079

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O4/c1-16-6-13-11(15)14-8-5-9(17-2)7(12)4-10(8)18-3/h4-5H,6H2,1-3H3,(H2,13,14,15)
InChIKeyZOIQTYNVYQGWDT-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea (PubChem CID 110676079) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
PubChem CID110676079
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O4/c1-16-6-13-11(15)14-8-5-9(17-2)7(12)4-10(8)18-3/h4-5H,6H2,1-3H3,(H2,13,14,15)
InChIKeyZOIQTYNVYQGWDT-UHFFFAOYSA-N
XLogP2.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
2-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181908
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea (CID 110676079) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea is COCNC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea?
The InChIKey is ZOIQTYNVYQGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-16-6-13-11(15)14-8-5-9(17-2)7(12)4-10(8)18-3/h4-5H,6H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea has a molecular weight of 274.70 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea is sourced from PubChem (CID 110676079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).