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

C15H13ClINO — CID 114257099

IUPAC4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H13ClINO/c1-9-3-5-12(17)8-14(9)18-15(19)13-6-4-11(16)7-10(13)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLLSMLVXQJGRPCB-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.81
Rot. Bonds2

About 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide

4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide (PubChem CID 114257099) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
PubChem CID114257099
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC Name4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H13ClINO/c1-9-3-5-12(17)8-14(9)18-15(19)13-6-4-11(16)7-10(13)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLLSMLVXQJGRPCB-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

3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide (CID 114257099) is 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide is Cc1ccc(I)cc1NC(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
The InChIKey is LLSMLVXQJGRPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9-3-5-12(17)8-14(9)18-15(19)13-6-4-11(16)7-10(13)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide?
4-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 4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 114257099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).