4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide

C15H13ClINO — CID 38898615

IUPAC4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H13ClINO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyCFTWOQDISKKLEV-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.81
Rot. Bonds2

About 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide

4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide (PubChem CID 38898615) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
PubChem CID38898615
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H13ClINO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyCFTWOQDISKKLEV-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

2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
dimethyl 5-[(2-iodo-4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 100525954
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
N-(3-bromo-5-methylphenyl)-5-chloro-2-(methylamino)benzamide
CID 107578575
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide (CID 38898615) is 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide is Cc1cc(C)cc(NC(=O)c2ccc(Cl)cc2I)c1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide?
The InChIKey is CFTWOQDISKKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide?
4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide 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-(3,5-dimethylphenyl)-2-iodobenzamide is sourced from PubChem (CID 38898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).