N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide

C13H15IN2O — CID 39963762

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)c1cccc(I)c1
InChIInChI=1S/C13H15IN2O/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10/h4-7,9H,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyIDFMAQURGAJPLM-ZDUSSCGKSA-N
MW342.18 g/mol
LogP2.96
Rot. Bonds3

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide (PubChem CID 39963762) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide
PubChem CID39963762
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)c1cccc(I)c1
InChIInChI=1S/C13H15IN2O/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10/h4-7,9H,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyIDFMAQURGAJPLM-ZDUSSCGKSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662599
[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791507
2-[(3-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43467790
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide (CID 39963762) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide is CC(C)[C@](C)(C#N)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide?
The InChIKey is IDFMAQURGAJPLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10/h4-7,9H,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide has a molecular weight of 342.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide is sourced from PubChem (CID 39963762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).