1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea

C11H14ClN3O2 — CID 3768056

IUPAC1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
SMILESCN(C)C=NC(=O)NOCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O2/c1-15(2)8-13-11(16)14-17-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyNWHTVPZVUJVDLA-UHFFFAOYSA-N
MW255.71 g/mol
LogP2.07
Rot. Bonds4

About 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea

1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea (PubChem CID 3768056) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
PubChem CID3768056
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea
SMILESCN(C)C=NC(=O)NOCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O2/c1-15(2)8-13-11(16)14-17-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyNWHTVPZVUJVDLA-UHFFFAOYSA-N
XLogP2.07
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea (CID 3768056) is 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea is CN(C)C=NC(=O)NOCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
The InChIKey is NWHTVPZVUJVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-15(2)8-13-11(16)14-17-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea?
1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea has a molecular weight of 255.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(dimethylaminomethylidene)urea is sourced from PubChem (CID 3768056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).