N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide

C13H15F3INO2 — CID 107322364

IUPACN-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCCCI)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3INO2/c14-13(15,16)20-11-6-4-10(5-7-11)12(19)18-9-3-1-2-8-17/h4-7H,1-3,8-9H2,(H,18,19)
InChIKeyTUBKLFYTSFJSDU-UHFFFAOYSA-N
MW401.17 g/mol
LogP3.92
Rot. Bonds7

About N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide

N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide (PubChem CID 107322364) has the molecular formula C13H15F3INO2 and a molecular weight of 401.17 g/mol. Its IUPAC name is N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
PubChem CID107322364
Molecular FormulaC13H15F3INO2
Molecular Weight401.17 g/mol
Exact Mass401.01
IUPAC NameN-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCCCI)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3INO2/c14-13(15,16)20-11-6-4-10(5-7-11)12(19)18-9-3-1-2-8-17/h4-7H,1-3,8-9H2,(H,18,19)
InChIKeyTUBKLFYTSFJSDU-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 142629544
2-[2-[[4-(trifluoromethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242442
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 174391022
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide (CID 107322364) is N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide is O=C(NCCCCCI)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is TUBKLFYTSFJSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3INO2/c14-13(15,16)20-11-6-4-10(5-7-11)12(19)18-9-3-1-2-8-17/h4-7H,1-3,8-9H2,(H,18,19).
What are the key properties of N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide?
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 401.17 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 107322364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).