4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide

C13H18INO — CID 63958933

IUPAC4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-5-13(2,3)15(4)12(16)10-6-8-11(14)9-7-10/h6-9H,5H2,1-4H3
InChIKeyMITLRLWRWGYKRZ-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.55
Rot. Bonds3

About 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide

4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 63958933) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID63958933
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-5-13(2,3)15(4)12(16)10-6-8-11(14)9-7-10/h6-9H,5H2,1-4H3
InChIKeyMITLRLWRWGYKRZ-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
6-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63962079
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
CID 63958500
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
N-methyl-N-(2-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 63960134
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N,N-diethylethanamine;4-iodobenzoic acid
CID 71324124

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide (CID 63958933) is 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is MITLRLWRWGYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-5-13(2,3)15(4)12(16)10-6-8-11(14)9-7-10/h6-9H,5H2,1-4H3.
What are the key properties of 4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide?
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 331.20 g/mol, XLogP of 3.55, 3 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-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 63958933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).