2-chloro-N'-methylbenzenecarboximidamide;hydrochloride

C8H10Cl2N2 — CID 110209427

IUPAC2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(\N)c1ccccc1Cl.Cl
InChIInChI=1S/C8H9ClN2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H2,10,11);1H
InChIKeyHNINIBKWBZCPPC-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.10
Rot. Bonds1

About 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride

2-chloro-N'-methylbenzenecarboximidamide;hydrochloride (PubChem CID 110209427) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
PubChem CID110209427
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(\N)c1ccccc1Cl.Cl
InChIInChI=1S/C8H9ClN2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H2,10,11);1H
InChIKeyHNINIBKWBZCPPC-UHFFFAOYSA-N
XLogP2.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
2-chlorobenzenecarbothioamide
CID 139147259
tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
CID 82482108
4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide
CID 175456704
2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide
CID 89385094
2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
CID 142992070
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
ethene;N'-methylbenzenecarboximidamide
CID 142294327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride (CID 110209427) is 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride is C/N=C(\N)c1ccccc1Cl.Cl.
What is the InChIKey of 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is HNINIBKWBZCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H2,10,11);1H.
What are the key properties of 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride?
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 205.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 110209427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).