1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea

C15H15Cl2N3O — CID 63229714

IUPAC1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C15H15Cl2N3O/c1-2-20(12-5-3-4-10(18)8-12)15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,2,18H2,1H3,(H,19,21)
InChIKeyNVCGWOWYJWXKKE-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.63
Rot. Bonds3

About 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea

1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea (PubChem CID 63229714) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
PubChem CID63229714
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C15H15Cl2N3O/c1-2-20(12-5-3-4-10(18)8-12)15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,2,18H2,1H3,(H,19,21)
InChIKeyNVCGWOWYJWXKKE-UHFFFAOYSA-N
XLogP4.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.63
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-(3-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63229843
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
CID 20787917
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 166855505
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The IUPAC name of 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea (CID 63229714) is 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The canonical SMILES for 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea is CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
The InChIKey is NVCGWOWYJWXKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-20(12-5-3-4-10(18)8-12)15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,2,18H2,1H3,(H,19,21).
What are the key properties of 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea?
1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea has a molecular weight of 324.21 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea is sourced from PubChem (CID 63229714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).