4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

C16H24INO — CID 79490314

IUPAC4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H24INO/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyNWWYOOIYUKOXNA-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.58
Rot. Bonds6

About 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (PubChem CID 79490314) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
PubChem CID79490314
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC Name4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H24INO/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyNWWYOOIYUKOXNA-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.58
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

4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
N-(2-bromoethyl)-4-iodo-N-pentan-3-ylbenzamide
CID 80671837
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (CID 79490314) is 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CC(C)C)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The InChIKey is NWWYOOIYUKOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide has a molecular weight of 373.28 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 79490314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).