N'-(2-chloroanilino)benzenecarboximidamide

C13H12ClN3 — CID 134068294

IUPACN'-(2-chloroanilino)benzenecarboximidamide
SMILESN/C(=N\Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClN3/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10/h1-9,16H,(H2,15,17)
InChIKeyPUGJSTMHMZLQAY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.07
Rot. Bonds3

About N'-(2-chloroanilino)benzenecarboximidamide

N'-(2-chloroanilino)benzenecarboximidamide (PubChem CID 134068294) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N'-(2-chloroanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-chloroanilino)benzenecarboximidamide
PubChem CID134068294
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC NameN'-(2-chloroanilino)benzenecarboximidamide
SMILESN/C(=N\Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClN3/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10/h1-9,16H,(H2,15,17)
InChIKeyPUGJSTMHMZLQAY-UHFFFAOYSA-N
XLogP3.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
CID 67958780
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
CID 171114666
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
CID 85434851
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
N'-(2-chloroanilino)-N,N-diethylethanimidamide
CID 25018588
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
CID 10445670

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroanilino)benzenecarboximidamide?
The IUPAC name of N'-(2-chloroanilino)benzenecarboximidamide (CID 134068294) is N'-(2-chloroanilino)benzenecarboximidamide.
What is the SMILES notation for N'-(2-chloroanilino)benzenecarboximidamide?
The canonical SMILES for N'-(2-chloroanilino)benzenecarboximidamide is N/C(=N\Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N'-(2-chloroanilino)benzenecarboximidamide?
The InChIKey is PUGJSTMHMZLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10/h1-9,16H,(H2,15,17).
What are the key properties of N'-(2-chloroanilino)benzenecarboximidamide?
N'-(2-chloroanilino)benzenecarboximidamide has a molecular weight of 245.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroanilino)benzenecarboximidamide is sourced from PubChem (CID 134068294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).