N-(5-iodopentyl)-3,4-dimethylbenzamide

C14H20INO — CID 107322453

IUPACN-(5-iodopentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCI)cc1C
InChIInChI=1S/C14H20INO/c1-11-6-7-13(10-12(11)2)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyQIPZRUOGFAGRRH-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.64
Rot. Bonds6

About N-(5-iodopentyl)-3,4-dimethylbenzamide

N-(5-iodopentyl)-3,4-dimethylbenzamide (PubChem CID 107322453) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(5-iodopentyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-3,4-dimethylbenzamide
PubChem CID107322453
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC NameN-(5-iodopentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCI)cc1C
InChIInChI=1S/C14H20INO/c1-11-6-7-13(10-12(11)2)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyQIPZRUOGFAGRRH-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hexyl-3,4-dimethylbenzamide
CID 4523484
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
3-bromo-4-fluoro-N-(6-iodohexyl)benzamide
CID 107956941
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
4-amino-3-methyl-N-octylbenzamide
CID 115565914
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-iodopentyl)-3,4-dimethylbenzamide (CID 107322453) is N-(5-iodopentyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-iodopentyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-iodopentyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCCCI)cc1C.
What is the InChIKey of N-(5-iodopentyl)-3,4-dimethylbenzamide?
The InChIKey is QIPZRUOGFAGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-11-6-7-13(10-12(11)2)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(5-iodopentyl)-3,4-dimethylbenzamide?
N-(5-iodopentyl)-3,4-dimethylbenzamide has a molecular weight of 345.22 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 107322453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).