N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide

C13H13F3INO — CID 171921545

IUPACN-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C13H13F3INO/c14-13(15,16)11-7-8(17)5-6-10(11)12(19)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,18,19)
InChIKeyPNSVGMJCVHWPRR-UHFFFAOYSA-N
MW383.15 g/mol
LogP3.98
Rot. Bonds2

About N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide

N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide (PubChem CID 171921545) has the molecular formula C13H13F3INO and a molecular weight of 383.15 g/mol. Its IUPAC name is N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
PubChem CID171921545
Molecular FormulaC13H13F3INO
Molecular Weight383.15 g/mol
Exact Mass383.00
IUPAC NameN-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C13H13F3INO/c14-13(15,16)11-7-8(17)5-6-10(11)12(19)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,18,19)
InChIKeyPNSVGMJCVHWPRR-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 53.98
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-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 167713480
N-cyclopentyl-2,3,5-triiodobenzamide
CID 60631264
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-(cyclohexylcarbamoyl)-4-methoxy-2-(trifluoromethyl)benzamide
CID 143825373
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide (CID 171921545) is N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide is O=C(NC1CCCC1)c1ccc(I)cc1C(F)(F)F.
What is the InChIKey of N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide?
The InChIKey is PNSVGMJCVHWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3INO/c14-13(15,16)11-7-8(17)5-6-10(11)12(19)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,18,19).
What are the key properties of N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide?
N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide has a molecular weight of 383.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171921545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).