4-chloro-N-(4-iodo-3-methylphenyl)benzamide

C14H11ClINO — CID 587314

IUPAC4-chloro-N-(4-iodo-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1I
InChIInChI=1S/C14H11ClINO/c1-9-8-12(6-7-13(9)16)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)
InChIKeyVMUJFZYFKUZPBP-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.51
Rot. Bonds2

About 4-chloro-N-(4-iodo-3-methylphenyl)benzamide

4-chloro-N-(4-iodo-3-methylphenyl)benzamide (PubChem CID 587314) has the molecular formula C14H11ClINO and a molecular weight of 371.61 g/mol. Its IUPAC name is 4-chloro-N-(4-iodo-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-iodo-3-methylphenyl)benzamide
PubChem CID587314
Molecular FormulaC14H11ClINO
Molecular Weight371.61 g/mol
Exact Mass370.96
IUPAC Name4-chloro-N-(4-iodo-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1I
InChIInChI=1S/C14H11ClINO/c1-9-8-12(6-7-13(9)16)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)
InChIKeyVMUJFZYFKUZPBP-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
5-[(4-chlorobenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946842
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide
CID 158443385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-iodo-3-methylphenyl)benzamide (CID 587314) is 4-chloro-N-(4-iodo-3-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-iodo-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1I.
What is the InChIKey of 4-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The InChIKey is VMUJFZYFKUZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO/c1-9-8-12(6-7-13(9)16)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(4-iodo-3-methylphenyl)benzamide?
4-chloro-N-(4-iodo-3-methylphenyl)benzamide has a molecular weight of 371.61 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-iodo-3-methylphenyl)benzamide is sourced from PubChem (CID 587314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).