4-chloro-N,N'-dimethylbenzenecarboximidamide

C9H11ClN2 — CID 3027145

IUPAC4-chloro-N,N'-dimethylbenzenecarboximidamide
SMILESC/N=C(\NC)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyNXTHBIFVICPVOU-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.94
Rot. Bonds1

About 4-chloro-N,N'-dimethylbenzenecarboximidamide

4-chloro-N,N'-dimethylbenzenecarboximidamide (PubChem CID 3027145) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-chloro-N,N'-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N,N'-dimethylbenzenecarboximidamide
PubChem CID3027145
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-chloro-N,N'-dimethylbenzenecarboximidamide
SMILESC/N=C(\NC)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyNXTHBIFVICPVOU-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N'-dimethylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N,N'-dimethylbenzenecarboximidamide (CID 3027145) is 4-chloro-N,N'-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N,N'-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N,N'-dimethylbenzenecarboximidamide is C/N=C(\NC)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N,N'-dimethylbenzenecarboximidamide?
The InChIKey is NXTHBIFVICPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of 4-chloro-N,N'-dimethylbenzenecarboximidamide?
4-chloro-N,N'-dimethylbenzenecarboximidamide has a molecular weight of 182.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N'-dimethylbenzenecarboximidamide is sourced from PubChem (CID 3027145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).