3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide

C15H13ClINO — CID 114257023

IUPAC3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H13ClINO/c1-9-6-7-11(17)8-14(9)18-15(19)12-4-3-5-13(16)10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyDTIBTBPDHVZFTL-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.81
Rot. Bonds2

About 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide

3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide (PubChem CID 114257023) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
PubChem CID114257023
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC Name3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H13ClINO/c1-9-6-7-11(17)8-14(9)18-15(19)12-4-3-5-13(16)10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyDTIBTBPDHVZFTL-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.81
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

2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide (CID 114257023) is 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide is Cc1ccc(I)cc1NC(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The InChIKey is DTIBTBPDHVZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9-6-7-11(17)8-14(9)18-15(19)12-4-3-5-13(16)10(12)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide has a molecular weight of 385.63 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 114257023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).