N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide

C16H16ClN3O — CID 6172930

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)14-9-7-12(8-10-14)16(21)19-18-11-13-5-3-4-6-15(13)17/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyVEBALFKTNNDFFI-WQRHYEAKSA-N
MW301.78 g/mol
LogP3.17
Rot. Bonds4

About N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide (PubChem CID 6172930) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
PubChem CID6172930
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)14-9-7-12(8-10-14)16(21)19-18-11-13-5-3-4-6-15(13)17/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyVEBALFKTNNDFFI-WQRHYEAKSA-N
XLogP3.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 43879535
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 28588974
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide (CID 6172930) is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is VEBALFKTNNDFFI-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20(2)14-9-7-12(8-10-14)16(21)19-18-11-13-5-3-4-6-15(13)17/h3-11H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 301.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 6172930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).