1-[(4-chlorophenyl)methoxy]-3-methylurea

C9H11ClN2O2 — CID 87765732

IUPAC1-[(4-chlorophenyl)methoxy]-3-methylurea
SMILESCNC(=O)NOCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)12-14-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyZWULJQJFOHSULD-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.70
Rot. Bonds3

About 1-[(4-chlorophenyl)methoxy]-3-methylurea

1-[(4-chlorophenyl)methoxy]-3-methylurea (PubChem CID 87765732) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-methylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-methylurea
PubChem CID87765732
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-methylurea
SMILESCNC(=O)NOCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)12-14-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyZWULJQJFOHSULD-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methoxy]-3-methylurea 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-methyl-3-phenylmethoxyurea
CID 14227198
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid
CID 87727855
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
(4-chlorophenyl)methyl 2-aminopentanoate
CID 65126938
1-[(4-chlorophenyl)methoxy]pentan-2-one
CID 65126623
1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-methylurea?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-methylurea (CID 87765732) is 1-[(4-chlorophenyl)methoxy]-3-methylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-methylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-methylurea is CNC(=O)NOCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-methylurea?
The InChIKey is ZWULJQJFOHSULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-9(13)12-14-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-methylurea?
1-[(4-chlorophenyl)methoxy]-3-methylurea has a molecular weight of 214.65 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-methylurea is sourced from PubChem (CID 87765732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).