N-butan-2-yl-N-butyl-4-iodobenzamide

C15H22INO — CID 60660036

IUPACN-butan-2-yl-N-butyl-4-iodobenzamide
SMILESCCCCN(C(=O)c1ccc(I)cc1)C(C)CC
InChIInChI=1S/C15H22INO/c1-4-6-11-17(12(3)5-2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHOKIZAIRKRPTCC-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.33
Rot. Bonds6

About N-butan-2-yl-N-butyl-4-iodobenzamide

N-butan-2-yl-N-butyl-4-iodobenzamide (PubChem CID 60660036) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-iodobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-iodobenzamide
PubChem CID60660036
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-butan-2-yl-N-butyl-4-iodobenzamide
SMILESCCCCN(C(=O)c1ccc(I)cc1)C(C)CC
InChIInChI=1S/C15H22INO/c1-4-6-11-17(12(3)5-2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHOKIZAIRKRPTCC-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-butan-2-yl-N-butylfuran-3-carboxamide
CID 78858377
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N-(2-bromoethyl)-4-iodo-N-pentan-3-ylbenzamide
CID 80671837
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-iodobenzamide?
The IUPAC name of N-butan-2-yl-N-butyl-4-iodobenzamide (CID 60660036) is N-butan-2-yl-N-butyl-4-iodobenzamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-iodobenzamide?
The canonical SMILES for N-butan-2-yl-N-butyl-4-iodobenzamide is CCCCN(C(=O)c1ccc(I)cc1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-iodobenzamide?
The InChIKey is HOKIZAIRKRPTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-4-6-11-17(12(3)5-2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-4-iodobenzamide?
N-butan-2-yl-N-butyl-4-iodobenzamide has a molecular weight of 359.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-iodobenzamide is sourced from PubChem (CID 60660036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).