4-iodo-N-methyl-N-pentylbenzamide

C13H18INO — CID 61400602

IUPAC4-iodo-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyVSUDFLWGBIZVPL-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.55
Rot. Bonds5

About 4-iodo-N-methyl-N-pentylbenzamide

4-iodo-N-methyl-N-pentylbenzamide (PubChem CID 61400602) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-pentylbenzamide
PubChem CID61400602
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-iodo-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyVSUDFLWGBIZVPL-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[2-[ethyl(nonyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139952652
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
CID 175536796
3-amino-4-bromo-N-methyl-N-pentylbenzamide
CID 61093599

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-pentylbenzamide?
The IUPAC name of 4-iodo-N-methyl-N-pentylbenzamide (CID 61400602) is 4-iodo-N-methyl-N-pentylbenzamide.
What is the SMILES notation for 4-iodo-N-methyl-N-pentylbenzamide?
The canonical SMILES for 4-iodo-N-methyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-pentylbenzamide?
The InChIKey is VSUDFLWGBIZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 4-iodo-N-methyl-N-pentylbenzamide?
4-iodo-N-methyl-N-pentylbenzamide has a molecular weight of 331.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-pentylbenzamide is sourced from PubChem (CID 61400602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).