2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide

C18H15F3INO — CID 152994869

IUPAC2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESO=C(N[C@H]1CCC1c1ccccc1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C18H15F3INO/c19-18(20,21)14-7-3-1-5-11(14)12-9-10-16(12)23-17(24)13-6-2-4-8-15(13)22/h1-8,12,16H,9-10H2,(H,23,24)/t12?,16-/m0/s1
InChIKeyUWZWGHUTIOSAIU-INSVYWFGSA-N
MW445.22 g/mol
LogP4.99
Rot. Bonds3

About 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide

2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide (PubChem CID 152994869) has the molecular formula C18H15F3INO and a molecular weight of 445.22 g/mol. Its IUPAC name is 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
PubChem CID152994869
Molecular FormulaC18H15F3INO
Molecular Weight445.22 g/mol
Exact Mass445.02
IUPAC Name2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESO=C(N[C@H]1CCC1c1ccccc1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C18H15F3INO/c19-18(20,21)14-7-3-1-5-11(14)12-9-10-16(12)23-17(24)13-6-2-4-8-15(13)22/h1-8,12,16H,9-10H2,(H,23,24)/t12?,16-/m0/s1
InChIKeyUWZWGHUTIOSAIU-INSVYWFGSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.22
LogP ≤ 54.99
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-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 75399293
2-(methylamino)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide;hydrochloride
CID 120705635
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
CID 102554068
N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 123867173

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The IUPAC name of 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide (CID 152994869) is 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The canonical SMILES for 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide is O=C(N[C@H]1CCC1c1ccccc1C(F)(F)F)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The InChIKey is UWZWGHUTIOSAIU-INSVYWFGSA-N. The full InChI is InChI=1S/C18H15F3INO/c19-18(20,21)14-7-3-1-5-11(14)12-9-10-16(12)23-17(24)13-6-2-4-8-15(13)22/h1-8,12,16H,9-10H2,(H,23,24)/t12?,16-/m0/s1.
What are the key properties of 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide has a molecular weight of 445.22 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 152994869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).