1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine

C13H11ClN4O2 — CID 135981310

IUPAC1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2/c14-9-1-3-10(4-2-9)16-13(15)17-11-5-7-12(8-6-11)18(19)20/h1-8H,(H3,15,16,17)
InChIKeyJACYXWOKQHTQHZ-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine

1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine (PubChem CID 135981310) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
PubChem CID135981310
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2/c14-9-1-3-10(4-2-9)16-13(15)17-11-5-7-12(8-6-11)18(19)20/h1-8H,(H3,15,16,17)
InChIKeyJACYXWOKQHTQHZ-UHFFFAOYSA-N
XLogP3.31
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[N-(4-chlorophenyl)-C-(4-nitrophenyl)carbonimidoyl]sulfanyl N-(4-chlorophenyl)-4-nitrobenzenecarboximidothioate
CID 71465652
1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
CID 69016333
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
CID 70381437
CID 70381437
[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
1-chloro-4-nitrobenzene;ethane
CID 90737802
methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine (CID 135981310) is 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine is N/C(=N\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine?
The InChIKey is JACYXWOKQHTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-9-1-3-10(4-2-9)16-13(15)17-11-5-7-12(8-6-11)18(19)20/h1-8H,(H3,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine?
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine has a molecular weight of 290.71 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine is sourced from PubChem (CID 135981310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).