2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C14H15F3INO — CID 60722477

IUPAC2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C14H15F3INO/c15-14(16,17)10-6-2-4-8-12(10)19-13(20)9-5-1-3-7-11(9)18/h1,3,5,7,10,12H,2,4,6,8H2,(H,19,20)
InChIKeyRXZKXIACRQAISV-UHFFFAOYSA-N
MW397.18 g/mol
LogP4.14
Rot. Bonds2

About 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide

2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 60722477) has the molecular formula C14H15F3INO and a molecular weight of 397.18 g/mol. Its IUPAC name is 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID60722477
Molecular FormulaC14H15F3INO
Molecular Weight397.18 g/mol
Exact Mass397.02
IUPAC Name2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C14H15F3INO/c15-14(16,17)10-6-2-4-8-12(10)19-13(20)9-5-1-3-7-11(9)18/h1,3,5,7,10,12H,2,4,6,8H2,(H,19,20)
InChIKeyRXZKXIACRQAISV-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 54.14
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-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 152994869
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
CID 71885532
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 60722477) is 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1C(F)(F)F)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is RXZKXIACRQAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3INO/c15-14(16,17)10-6-2-4-8-12(10)19-13(20)9-5-1-3-7-11(9)18/h1,3,5,7,10,12H,2,4,6,8H2,(H,19,20).
What are the key properties of 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 397.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 60722477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).