1-(3-chlorophenyl)-3-phenyliminourea

C13H10ClN3O — CID 10801288

IUPAC1-(3-chlorophenyl)-3-phenyliminourea
SMILESO=C(/N=N/c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O/c14-10-5-4-8-12(9-10)15-13(18)17-16-11-6-2-1-3-7-11/h1-9H,(H,15,18)/b17-16+
InChIKeyGTHUSHOMCYHTOI-WUKNDPDISA-N
MW259.70 g/mol
LogP4.66
Rot. Bonds2

About 1-(3-chlorophenyl)-3-phenyliminourea

1-(3-chlorophenyl)-3-phenyliminourea (PubChem CID 10801288) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenyliminourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenyliminourea
PubChem CID10801288
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name1-(3-chlorophenyl)-3-phenyliminourea
SMILESO=C(/N=N/c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O/c14-10-5-4-8-12(9-10)15-13(18)17-16-11-6-2-1-3-7-11/h1-9H,(H,15,18)/b17-16+
InChIKeyGTHUSHOMCYHTOI-WUKNDPDISA-N
XLogP4.66
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)carbamoyliminocarbamic acid
CID 69123741
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
methyl N-(3-chlorophenyl)carbamate
CID 16529
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenyliminourea?
The IUPAC name of 1-(3-chlorophenyl)-3-phenyliminourea (CID 10801288) is 1-(3-chlorophenyl)-3-phenyliminourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenyliminourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenyliminourea is O=C(/N=N/c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenyliminourea?
The InChIKey is GTHUSHOMCYHTOI-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-5-4-8-12(9-10)15-13(18)17-16-11-6-2-1-3-7-11/h1-9H,(H,15,18)/b17-16+.
What are the key properties of 1-(3-chlorophenyl)-3-phenyliminourea?
1-(3-chlorophenyl)-3-phenyliminourea has a molecular weight of 259.70 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenyliminourea is sourced from PubChem (CID 10801288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).