1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea

C14H13ClFN3O — CID 107465953

IUPAC1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClFN3O/c1-19(13-8-9(15)6-7-11(13)17)14(20)18-12-5-3-2-4-10(12)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyNLUWONOPYHDWJV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.73
Rot. Bonds2

About 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea

1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea (PubChem CID 107465953) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
PubChem CID107465953
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClFN3O/c1-19(13-8-9(15)6-7-11(13)17)14(20)18-12-5-3-2-4-10(12)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyNLUWONOPYHDWJV-UHFFFAOYSA-N
XLogP3.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-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

1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107465812
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
CID 107465805

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea (CID 107465953) is 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea is CN(C(=O)Nc1ccccc1F)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is NLUWONOPYHDWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-19(13-8-9(15)6-7-11(13)17)14(20)18-12-5-3-2-4-10(12)16/h2-8H,17H2,1H3,(H,18,20).
What are the key properties of 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea?
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 293.73 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 107465953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).