1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

C13H11Cl2N3O2 — CID 107698053

IUPAC1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1cc(O)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-12-4-2-8(19)6-11(12)16/h1-6,19H,16H2,(H2,17,18,20)
InChIKeyFFRQIOQRXLHKNM-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 107698053) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID107698053
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESNc1cc(O)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-12-4-2-8(19)6-11(12)16/h1-6,19H,16H2,(H2,17,18,20)
InChIKeyFFRQIOQRXLHKNM-UHFFFAOYSA-N
XLogP3.93
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)urea
CID 53465158
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea (CID 107698053) is 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea is Nc1cc(O)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is FFRQIOQRXLHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-12-4-2-8(19)6-11(12)16/h1-6,19H,16H2,(H2,17,18,20).
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 312.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 107698053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).