1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea

C13H10Cl3N3O — CID 82861820

IUPAC1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl3N3O/c14-9-3-1-7(5-10(9)15)18-13(20)19-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H2,18,19,20)
InChIKeyBSMUDJDUJHVFCA-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.87
Rot. Bonds2

About 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea

1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 82861820) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID82861820
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl3N3O/c14-9-3-1-7(5-10(9)15)18-13(20)19-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H2,18,19,20)
InChIKeyBSMUDJDUJHVFCA-UHFFFAOYSA-N
XLogP4.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.87
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-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea (CID 82861820) is 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea is Nc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is BSMUDJDUJHVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-9-3-1-7(5-10(9)15)18-13(20)19-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H2,18,19,20).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 330.60 g/mol, XLogP of 4.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 82861820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).