1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea

C12H18ClN3O — CID 107465986

IUPAC1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
SMILESCN(C(=O)NC(C)(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-12(2,3)15-11(17)16(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3,(H,15,17)
InChIKeyRMBMQEOEFXXOJX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.87
Rot. Bonds1

About 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea

1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea (PubChem CID 107465986) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
PubChem CID107465986
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
SMILESCN(C(=O)NC(C)(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-12(2,3)15-11(17)16(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3,(H,15,17)
InChIKeyRMBMQEOEFXXOJX-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.87
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-tert-butyl-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-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea (CID 107465986) is 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea is CN(C(=O)NC(C)(C)C)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea?
The InChIKey is RMBMQEOEFXXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,3)15-11(17)16(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3,(H,15,17).
What are the key properties of 1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea?
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea has a molecular weight of 255.75 g/mol, XLogP of 2.87, 1 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-tert-butyl-1-methylurea is sourced from PubChem (CID 107465986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).