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

C14H13Cl2N3O — CID 107465973

IUPAC1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cccc(Cl)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13Cl2N3O/c1-19(13-8-10(16)5-6-12(13)17)14(20)18-11-4-2-3-9(15)7-11/h2-8H,17H2,1H3,(H,18,20)
InChIKeyLHSUCVXDFVWRJP-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.24
Rot. Bonds2

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

1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea (PubChem CID 107465973) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
PubChem CID107465973
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cccc(Cl)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13Cl2N3O/c1-19(13-8-10(16)5-6-12(13)17)14(20)18-11-4-2-3-9(15)7-11/h2-8H,17H2,1H3,(H,18,20)
InChIKeyLHSUCVXDFVWRJP-UHFFFAOYSA-N
XLogP4.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
amino-[(3-chlorophenyl)carbamoyl]carbamic acid
CID 69123745
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
N-(2-amino-5-chlorophenyl)-2-hydroxy-N,3-dimethylbenzamide
CID 107465659
N-(3-chlorophenyl)-1-methylphosphanylformamide
CID 138970843

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea (CID 107465973) is 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea is CN(C(=O)Nc1cccc(Cl)c1)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea?
The InChIKey is LHSUCVXDFVWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-19(13-8-10(16)5-6-12(13)17)14(20)18-11-4-2-3-9(15)7-11/h2-8H,17H2,1H3,(H,18,20).
What are the key properties of 1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea?
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea has a molecular weight of 310.18 g/mol, XLogP of 4.24, 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-(3-chlorophenyl)-1-methylurea is sourced from PubChem (CID 107465973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).