N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide

C11H16INO2 — CID 107860051

IUPACN-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CI)C(C)C)co1
InChIInChI=1S/C11H16INO2/c1-7(2)10(5-12)13-11(14)9-4-8(3)15-6-9/h4,6-7,10H,5H2,1-3H3,(H,13,14)
InChIKeyQNOFCHQJOJQTCN-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.78
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide

N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 107860051) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID107860051
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CI)C(C)C)co1
InChIInChI=1S/C11H16INO2/c1-7(2)10(5-12)13-11(14)9-4-8(3)15-6-9/h4,6-7,10H,5H2,1-3H3,(H,13,14)
InChIKeyQNOFCHQJOJQTCN-UHFFFAOYSA-N
XLogP2.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Furmecyclox
CID 43359
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
Cyclafuramid
CID 93178
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
CID 24817618
N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide
CID 2422759

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide (CID 107860051) is N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(CI)C(C)C)co1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is QNOFCHQJOJQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-7(2)10(5-12)13-11(14)9-4-8(3)15-6-9/h4,6-7,10H,5H2,1-3H3,(H,13,14).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide has a molecular weight of 321.16 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 107860051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).