1-amino-3-(4-chlorophenyl)urea;hydrochloride

C7H9Cl2N3O — CID 2757858

IUPAC1-amino-3-(4-chlorophenyl)urea;hydrochloride
SMILESCl.NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3O.ClH/c8-5-1-3-6(4-2-5)10-7(12)11-9;/h1-4H,9H2,(H2,10,11,12);1H
InChIKeyLUJMEZGXXZCWCF-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.76
Rot. Bonds1

About 1-amino-3-(4-chlorophenyl)urea;hydrochloride

1-amino-3-(4-chlorophenyl)urea;hydrochloride (PubChem CID 2757858) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-amino-3-(4-chlorophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(4-chlorophenyl)urea;hydrochloride
PubChem CID2757858
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name1-amino-3-(4-chlorophenyl)urea;hydrochloride
SMILESCl.NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3O.ClH/c8-5-1-3-6(4-2-5)10-7(12)11-9;/h1-4H,9H2,(H2,10,11,12);1H
InChIKeyLUJMEZGXXZCWCF-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Monuron
CID 8800
Urea, (3,4-dichlorophenyl)-
CID 16854
4-Chlorophenylurea
CID 8796
1-(3,5-Dichlorophenyl)urea
CID 4165004
Monomethylmonuron
CID 79309
4,4'-Dichlorocarbanilide
CID 94996
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
4-(4-Chlorophenyl)-3-thiosemicarbazide
CID 706988
4-(3-Chlorophenyl)thiosemicarbazide
CID 707050
4-Phenylsemicarbazide
CID 10837
1-(2-Chlorophenyl)-3-(4-chlorophenyl)urea
CID 295011
4-Phenylsemicarbazide hydrochloride
CID 79505

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chlorophenyl)urea;hydrochloride?
The IUPAC name of 1-amino-3-(4-chlorophenyl)urea;hydrochloride (CID 2757858) is 1-amino-3-(4-chlorophenyl)urea;hydrochloride.
What is the SMILES notation for 1-amino-3-(4-chlorophenyl)urea;hydrochloride?
The canonical SMILES for 1-amino-3-(4-chlorophenyl)urea;hydrochloride is Cl.NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-3-(4-chlorophenyl)urea;hydrochloride?
The InChIKey is LUJMEZGXXZCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O.ClH/c8-5-1-3-6(4-2-5)10-7(12)11-9;/h1-4H,9H2,(H2,10,11,12);1H.
What are the key properties of 1-amino-3-(4-chlorophenyl)urea;hydrochloride?
1-amino-3-(4-chlorophenyl)urea;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chlorophenyl)urea;hydrochloride is sourced from PubChem (CID 2757858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).