1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea

C14H13Cl2N3O — CID 61296394

IUPAC1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-19(11-4-2-3-10(17)8-11)14(20)18-13-7-9(15)5-6-12(13)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyPJQAGYUYRPOXQW-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.24
Rot. Bonds2

About 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea

1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea (PubChem CID 61296394) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea
PubChem CID61296394
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-19(11-4-2-3-10(17)8-11)14(20)18-13-7-9(15)5-6-12(13)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyPJQAGYUYRPOXQW-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

3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
CID 138755485
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197716
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733
N-(3-acetamidophenyl)-N'-(2,5-dichlorophenyl)oxamide
CID 108501018

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea?
The IUPAC name of 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea (CID 61296394) is 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea?
The canonical SMILES for 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea is CN(C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea?
The InChIKey is PJQAGYUYRPOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-19(11-4-2-3-10(17)8-11)14(20)18-13-7-9(15)5-6-12(13)16/h2-8H,17H2,1H3,(H,18,20).
What are the key properties of 1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea?
1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-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-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea is sourced from PubChem (CID 61296394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).