N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide

C14H14ClN3 — CID 19847843

IUPACN-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(\NN)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c1-10-6-2-5-9-13(10)17-14(18-16)11-7-3-4-8-12(11)15/h2-9H,16H2,1H3,(H,17,18)
InChIKeyGPHJYBPCDXOTEG-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.19
Rot. Bonds2

About N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide

N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide (PubChem CID 19847843) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
PubChem CID19847843
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC NameN-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(\NN)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c1-10-6-2-5-9-13(10)17-14(18-16)11-7-3-4-8-12(11)15/h2-9H,16H2,1H3,(H,17,18)
InChIKeyGPHJYBPCDXOTEG-UHFFFAOYSA-N
XLogP3.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide
CID 61362161
N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544326
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
CID 123499429
N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide
CID 135227661
1-amino-3-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
N-amino-2,3-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 61361489
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
2-(2-chlorophenyl)-N'-(2-fluorophenyl)-N-hydrazinylbenzenecarboximidamide
CID 135227701
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718

Frequently Asked Questions

What is the IUPAC name of N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide (CID 19847843) is N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide is Cc1ccccc1/N=C(\NN)c1ccccc1Cl.
What is the InChIKey of N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide?
The InChIKey is GPHJYBPCDXOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-10-6-2-5-9-13(10)17-14(18-16)11-7-3-4-8-12(11)15/h2-9H,16H2,1H3,(H,17,18).
What are the key properties of N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide?
N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide has a molecular weight of 259.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 19847843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).