1-[(2-chlorophenyl)methyl]-1-methylurea

C9H11ClN2O — CID 60703173

IUPAC1-[(2-chlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(N)=O
InChIInChI=1S/C9H11ClN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZEBRRCSOVOKBCQ-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.85
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-1-methylurea

1-[(2-chlorophenyl)methyl]-1-methylurea (PubChem CID 60703173) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methylurea
PubChem CID60703173
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(N)=O
InChIInChI=1S/C9H11ClN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZEBRRCSOVOKBCQ-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chlorophenyl)methyl]-1-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

N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 30827481
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 62361409
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methylurea (CID 60703173) is 1-[(2-chlorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methylurea is CN(Cc1ccccc1Cl)C(N)=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methylurea?
The InChIKey is ZEBRRCSOVOKBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methylurea?
1-[(2-chlorophenyl)methyl]-1-methylurea has a molecular weight of 198.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 60703173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).