1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea

C9H10ClFN2O — CID 126770293

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C9H10ClFN2O/c1-13(9(12)14)5-6-2-3-7(11)4-8(6)10/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyCBTXKIDTUWRWKJ-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.99
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea

1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea (PubChem CID 126770293) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea
PubChem CID126770293
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C9H10ClFN2O/c1-13(9(12)14)5-6-2-3-7(11)4-8(6)10/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyCBTXKIDTUWRWKJ-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chloro-4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea (CID 126770293) is 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea is CN(Cc1ccc(F)cc1Cl)C(N)=O.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea?
The InChIKey is CBTXKIDTUWRWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-13(9(12)14)5-6-2-3-7(11)4-8(6)10/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea?
1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea has a molecular weight of 216.64 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 126770293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).