3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide

C16H13F3INO — CID 59381869

IUPAC3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1I
InChIInChI=1S/C16H13F3INO/c1-9-6-7-11(8-13(9)20)15(22)21-14-5-3-4-12(10(14)2)16(17,18)19/h3-8H,1-2H3,(H,21,22)
InChIKeyYWCWADPBPQZHFE-UHFFFAOYSA-N
MW419.18 g/mol
LogP5.18
Rot. Bonds2

About 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide

3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 59381869) has the molecular formula C16H13F3INO and a molecular weight of 419.18 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID59381869
Molecular FormulaC16H13F3INO
Molecular Weight419.18 g/mol
Exact Mass419.00
IUPAC Name3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1I
InChIInChI=1S/C16H13F3INO/c1-9-6-7-11(8-13(9)20)15(22)21-14-5-3-4-12(10(14)2)16(17,18)19/h3-8H,1-2H3,(H,21,22)
InChIKeyYWCWADPBPQZHFE-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.18
LogP ≤ 55.18
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

N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 167891902
2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 167868989
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 121454119
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 59381869) is 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YWCWADPBPQZHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3INO/c1-9-6-7-11(8-13(9)20)15(22)21-14-5-3-4-12(10(14)2)16(17,18)19/h3-8H,1-2H3,(H,21,22).
What are the key properties of 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 419.18 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59381869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).