3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide

C15H12Cl2INO — CID 5014387

IUPAC3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
SMILESCCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2INO/c1-2-9-7-11(18)4-6-14(9)19-15(20)10-3-5-12(16)13(17)8-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeyLNQQFMNHZRJQGB-UHFFFAOYSA-N
MW420.08 g/mol
LogP5.41
Rot. Bonds3

About 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide

3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide (PubChem CID 5014387) has the molecular formula C15H12Cl2INO and a molecular weight of 420.08 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
PubChem CID5014387
Molecular FormulaC15H12Cl2INO
Molecular Weight420.08 g/mol
Exact Mass418.93
IUPAC Name3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
SMILESCCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2INO/c1-2-9-7-11(18)4-6-14(9)19-15(20)10-3-5-12(16)13(17)8-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeyLNQQFMNHZRJQGB-UHFFFAOYSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.08
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide 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

5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
2-chloro-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide
CID 1395361
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 17104780
N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107606045
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide (CID 5014387) is 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide is CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide?
The InChIKey is LNQQFMNHZRJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO/c1-2-9-7-11(18)4-6-14(9)19-15(20)10-3-5-12(16)13(17)8-10/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide?
3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide has a molecular weight of 420.08 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide is sourced from PubChem (CID 5014387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).