1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea

C15H15Cl2N3O — CID 107652978

IUPAC1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-3-4-12(8-14(9)18)19-15(21)20-13-6-10(16)5-11(17)7-13/h3-8H,2,18H2,1H3,(H2,19,20,21)
InChIKeyITCKOZAZBCMIGS-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.78
Rot. Bonds3

About 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea

1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107652978) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107652978
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-3-4-12(8-14(9)18)19-15(21)20-13-6-10(16)5-11(17)7-13/h3-8H,2,18H2,1H3,(H2,19,20,21)
InChIKeyITCKOZAZBCMIGS-UHFFFAOYSA-N
XLogP4.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 90211641
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653004
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea (CID 107652978) is 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea is CCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is ITCKOZAZBCMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-9-3-4-12(8-14(9)18)19-15(21)20-13-6-10(16)5-11(17)7-13/h3-8H,2,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea?
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 324.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107652978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).