1-amino-3-(3-chlorophenyl)urea

C7H8ClN3O — CID 2757857

IUPAC1-amino-3-(3-chlorophenyl)urea
SMILESNNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyVIBQRVHXAMGUDU-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.34
Rot. Bonds1

About 1-amino-3-(3-chlorophenyl)urea

1-amino-3-(3-chlorophenyl)urea (PubChem CID 2757857) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 1-amino-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-amino-3-(3-chlorophenyl)urea
PubChem CID2757857
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name1-amino-3-(3-chlorophenyl)urea
SMILESNNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyVIBQRVHXAMGUDU-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.34
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

Urea, (3,4-dichlorophenyl)-
CID 16854
4-Chlorophenylurea
CID 8796
1-(3,5-Dichlorophenyl)urea
CID 4165004
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
N-(2-Chlorophenyl)hydrazinecarbothioamide
CID 717704
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
4-(4-Chlorophenyl)-3-thiosemicarbazide
CID 706988
4-(3-Chlorophenyl)thiosemicarbazide
CID 707050
1,3-Bis(3-chlorophenyl)urea
CID 139410
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea
CID 266468
1-(3-Chlorophenyl)-3-(4-fluorophenyl)urea
CID 266477

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chlorophenyl)urea?
The IUPAC name of 1-amino-3-(3-chlorophenyl)urea (CID 2757857) is 1-amino-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-amino-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-amino-3-(3-chlorophenyl)urea is NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-amino-3-(3-chlorophenyl)urea?
The InChIKey is VIBQRVHXAMGUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(3-chlorophenyl)urea?
1-amino-3-(3-chlorophenyl)urea has a molecular weight of 185.61 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chlorophenyl)urea is sourced from PubChem (CID 2757857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).