2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C17H15F3INO2 — CID 46483070

IUPAC2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1I
InChIInChI=1S/C17H15F3INO2/c1-10-4-3-5-14(15(10)21)16(23)22-11(2)12-6-8-13(9-7-12)24-17(18,19)20/h3-9,11H,1-2H3,(H,22,23)
InChIKeyGFSBMVZHNULAKT-UHFFFAOYSA-N
MW449.21 g/mol
LogP4.99
Rot. Bonds4

About 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 46483070) has the molecular formula C17H15F3INO2 and a molecular weight of 449.21 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID46483070
Molecular FormulaC17H15F3INO2
Molecular Weight449.21 g/mol
Exact Mass449.01
IUPAC Name2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1I
InChIInChI=1S/C17H15F3INO2/c1-10-4-3-5-14(15(10)21)16(23)22-11(2)12-6-8-13(9-7-12)24-17(18,19)20/h3-9,11H,1-2H3,(H,22,23)
InChIKeyGFSBMVZHNULAKT-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-(1,1-dimethoxypropan-2-yl)-2-iodo-3-methylbenzamide
CID 114030618
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 46483070) is 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is Cc1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is GFSBMVZHNULAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3INO2/c1-10-4-3-5-14(15(10)21)16(23)22-11(2)12-6-8-13(9-7-12)24-17(18,19)20/h3-9,11H,1-2H3,(H,22,23).
What are the key properties of 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 449.21 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 46483070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).