N-(6-iodohexyl)-3,5-dimethylbenzamide

C15H22INO — CID 107848408

IUPACN-(6-iodohexyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCCCCI)c1
InChIInChI=1S/C15H22INO/c1-12-9-13(2)11-14(10-12)15(18)17-8-6-4-3-5-7-16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyCKZFPPQJSOJCQF-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.03
Rot. Bonds7

About N-(6-iodohexyl)-3,5-dimethylbenzamide

N-(6-iodohexyl)-3,5-dimethylbenzamide (PubChem CID 107848408) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(6-iodohexyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-3,5-dimethylbenzamide
PubChem CID107848408
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-(6-iodohexyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCCCCI)c1
InChIInChI=1S/C15H22INO/c1-12-9-13(2)11-14(10-12)15(18)17-8-6-4-3-5-7-16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyCKZFPPQJSOJCQF-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.03
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-butyl-3,5-dimethylbenzamide
CID 17190927
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
3-bromo-N-butyl-5-methylbenzamide
CID 104851755

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(6-iodohexyl)-3,5-dimethylbenzamide (CID 107848408) is N-(6-iodohexyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(6-iodohexyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(6-iodohexyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCCCCCI)c1.
What is the InChIKey of N-(6-iodohexyl)-3,5-dimethylbenzamide?
The InChIKey is CKZFPPQJSOJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-12-9-13(2)11-14(10-12)15(18)17-8-6-4-3-5-7-16/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-(6-iodohexyl)-3,5-dimethylbenzamide?
N-(6-iodohexyl)-3,5-dimethylbenzamide has a molecular weight of 359.25 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 107848408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).