5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide

C14H22BrNO2 — CID 55824302

IUPAC5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1oc(Br)cc1C
InChIInChI=1S/C14H22BrNO2/c1-4-5-6-7-8-11(3)16-14(17)13-10(2)9-12(15)18-13/h9,11H,4-8H2,1-3H3,(H,16,17)
InChIKeyHMMQUQFJPDHBQL-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.44
Rot. Bonds7

About 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide

5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide (PubChem CID 55824302) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
PubChem CID55824302
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1oc(Br)cc1C
InChIInChI=1S/C14H22BrNO2/c1-4-5-6-7-8-11(3)16-14(17)13-10(2)9-12(15)18-13/h9,11H,4-8H2,1-3H3,(H,16,17)
InChIKeyHMMQUQFJPDHBQL-UHFFFAOYSA-N
XLogP4.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
CID 103791126
(2S)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361264
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
CID 47018404
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide (CID 55824302) is 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide is CCCCCCC(C)NC(=O)c1oc(Br)cc1C.
What is the InChIKey of 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide?
The InChIKey is HMMQUQFJPDHBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-5-6-7-8-11(3)16-14(17)13-10(2)9-12(15)18-13/h9,11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide?
5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 55824302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).