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

C13H10BrCl2N3O — CID 79767592

IUPAC1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H10BrCl2N3O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,17H2,(H2,18,19,20)
InChIKeyONCIWTKBMQODGH-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.98
Rot. Bonds2

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

1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 79767592) has the molecular formula C13H10BrCl2N3O and a molecular weight of 375.05 g/mol. Its IUPAC name is 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID79767592
Molecular FormulaC13H10BrCl2N3O
Molecular Weight375.05 g/mol
Exact Mass372.94
IUPAC Name1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H10BrCl2N3O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,17H2,(H2,18,19,20)
InChIKeyONCIWTKBMQODGH-UHFFFAOYSA-N
XLogP4.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.98
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-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
CID 65431622
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea (CID 79767592) is 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea is Nc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br.
What is the InChIKey of 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is ONCIWTKBMQODGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,17H2,(H2,18,19,20).
What are the key properties of 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea?
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 375.05 g/mol, XLogP of 4.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 79767592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).