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

(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
3-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-methylbenzamide
CID 107859792
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
(2S)-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 104978924
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861

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).