N-butan-2-yl-2-iodobenzamide

C11H14INO — CID 3344108

IUPACN-butan-2-yl-2-iodobenzamide
SMILESCCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C11H14INO/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyDKLUEMFLAYVLHU-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.82
Rot. Bonds3

About N-butan-2-yl-2-iodobenzamide

N-butan-2-yl-2-iodobenzamide (PubChem CID 3344108) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is N-butan-2-yl-2-iodobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-iodobenzamide
PubChem CID3344108
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC NameN-butan-2-yl-2-iodobenzamide
SMILESCCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C11H14INO/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyDKLUEMFLAYVLHU-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
2-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579350
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-iodobenzamide
CID 17199167
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-iodobenzamide?
The IUPAC name of N-butan-2-yl-2-iodobenzamide (CID 3344108) is N-butan-2-yl-2-iodobenzamide.
What is the SMILES notation for N-butan-2-yl-2-iodobenzamide?
The canonical SMILES for N-butan-2-yl-2-iodobenzamide is CCC(C)NC(=O)c1ccccc1I.
What is the InChIKey of N-butan-2-yl-2-iodobenzamide?
The InChIKey is DKLUEMFLAYVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-butan-2-yl-2-iodobenzamide?
N-butan-2-yl-2-iodobenzamide has a molecular weight of 303.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-iodobenzamide is sourced from PubChem (CID 3344108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).