2,4-dichloro-N-methylidenebenzamide

C8H5Cl2NO — CID 70837657

IUPAC2,4-dichloro-N-methylidenebenzamide
SMILESC=NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl2NO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H2
InChIKeyIOEJDKOMSRJRMU-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.83
Rot. Bonds1

About 2,4-dichloro-N-methylidenebenzamide

2,4-dichloro-N-methylidenebenzamide (PubChem CID 70837657) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2,4-dichloro-N-methylidenebenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methylidenebenzamide
PubChem CID70837657
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2,4-dichloro-N-methylidenebenzamide
SMILESC=NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl2NO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H2
InChIKeyIOEJDKOMSRJRMU-UHFFFAOYSA-N
XLogP2.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-methylidenebenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methylidenebenzamide?
The IUPAC name of 2,4-dichloro-N-methylidenebenzamide (CID 70837657) is 2,4-dichloro-N-methylidenebenzamide.
What is the SMILES notation for 2,4-dichloro-N-methylidenebenzamide?
The canonical SMILES for 2,4-dichloro-N-methylidenebenzamide is C=NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methylidenebenzamide?
The InChIKey is IOEJDKOMSRJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H2.
What are the key properties of 2,4-dichloro-N-methylidenebenzamide?
2,4-dichloro-N-methylidenebenzamide has a molecular weight of 202.04 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methylidenebenzamide is sourced from PubChem (CID 70837657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).