1-(4-chlorophenyl)-1-phenylguanidine

C13H12ClN3 — CID 138104266

IUPAC1-(4-chlorophenyl)-1-phenylguanidine
SMILES[H]/N=C(\N)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3/c14-10-6-8-12(9-7-10)17(13(15)16)11-4-2-1-3-5-11/h1-9H,(H3,15,16)
InChIKeyVIBDLMYLSNMLDR-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.37
Rot. Bonds2

About 1-(4-chlorophenyl)-1-phenylguanidine

1-(4-chlorophenyl)-1-phenylguanidine (PubChem CID 138104266) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-phenylguanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-phenylguanidine
PubChem CID138104266
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name1-(4-chlorophenyl)-1-phenylguanidine
SMILES[H]/N=C(\N)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3/c14-10-6-8-12(9-7-10)17(13(15)16)11-4-2-1-3-5-11/h1-9H,(H3,15,16)
InChIKeyVIBDLMYLSNMLDR-UHFFFAOYSA-N
XLogP3.37
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-1-[4-(N-methylanilino)pyrimidin-2-yl]guanidine
CID 67840291
1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
CID 140785268
1,1-bis(4-methoxyphenyl)guanidine
CID 19761906
1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine
CID 67554480
1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine
CID 57357482
1-phenyl-1-(N-phenylanilino)guanidine
CID 68911942
1-amino-1-(3-chlorophenyl)guanidine
CID 154401016
1-tert-butyl-1-phenylguanidine
CID 23103889
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine
CID 24839284
1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine
CID 22244847
1-benzyl-1-phenylguanidine
CID 9460
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-phenylguanidine?
The IUPAC name of 1-(4-chlorophenyl)-1-phenylguanidine (CID 138104266) is 1-(4-chlorophenyl)-1-phenylguanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-phenylguanidine?
The canonical SMILES for 1-(4-chlorophenyl)-1-phenylguanidine is [H]/N=C(\N)N(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-phenylguanidine?
The InChIKey is VIBDLMYLSNMLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-10-6-8-12(9-7-10)17(13(15)16)11-4-2-1-3-5-11/h1-9H,(H3,15,16).
What are the key properties of 1-(4-chlorophenyl)-1-phenylguanidine?
1-(4-chlorophenyl)-1-phenylguanidine has a molecular weight of 245.71 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-phenylguanidine is sourced from PubChem (CID 138104266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).