2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline

C15H15ClN2 — CID 142255330

IUPAC2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
SMILES[H]/N=C(\c1ccccc1)c1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H15ClN2/c1-18(2)14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11/h3-10,17H,1-2H3/b17-15+
InChIKeyFTAQLMSTMHKTGK-BMRADRMJSA-N
MW258.75 g/mol
LogP3.82
Rot. Bonds3

About 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline

2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline (PubChem CID 142255330) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
PubChem CID142255330
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
SMILES[H]/N=C(\c1ccccc1)c1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H15ClN2/c1-18(2)14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11/h3-10,17H,1-2H3/b17-15+
InChIKeyFTAQLMSTMHKTGK-BMRADRMJSA-N
XLogP3.82
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(benzenecarboximidoyl)-4-chloro-N-methylanilino]-2-oxoethyl]-2-(2-methylpropyl)butanediamide;propane
CID 142005682
N-[2-(benzenecarboximidoyl)-4-chlorophenyl]-3-ethyl-N-[2-oxo-2-(phenylsulfanylamino)ethyl]pentanamide
CID 169181197
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine
CID 145379854
[4-tert-butyl-2-(4-chlorobenzenecarboximidoyl)phenyl] benzoate
CID 146420895
4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 58987654
N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
CID 63181437
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
5-chloro-N,N,2-trimethylbenzenecarboximidamide
CID 152746806
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
CID 87624044

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline?
The IUPAC name of 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline (CID 142255330) is 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline.
What is the SMILES notation for 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline?
The canonical SMILES for 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline is [H]/N=C(\c1ccccc1)c1cc(Cl)ccc1N(C)C.
What is the InChIKey of 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline?
The InChIKey is FTAQLMSTMHKTGK-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-18(2)14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11/h3-10,17H,1-2H3/b17-15+.
What are the key properties of 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline?
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline has a molecular weight of 258.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline is sourced from PubChem (CID 142255330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).