5-bromo-N-cyclododecylfuran-2-carboxamide

C17H26BrNO2 — CID 2072742

IUPAC5-bromo-N-cyclododecylfuran-2-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H26BrNO2/c18-16-13-12-15(21-16)17(20)19-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2,(H,19,20)
InChIKeyFVLUPZHYUVBUJO-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.45
Rot. Bonds2

About 5-bromo-N-cyclododecylfuran-2-carboxamide

5-bromo-N-cyclododecylfuran-2-carboxamide (PubChem CID 2072742) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 5-bromo-N-cyclododecylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclododecylfuran-2-carboxamide
PubChem CID2072742
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name5-bromo-N-cyclododecylfuran-2-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H26BrNO2/c18-16-13-12-15(21-16)17(20)19-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2,(H,19,20)
InChIKeyFVLUPZHYUVBUJO-UHFFFAOYSA-N
XLogP5.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
CID 55069127
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclododecylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclododecylfuran-2-carboxamide (CID 2072742) is 5-bromo-N-cyclododecylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclododecylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclododecylfuran-2-carboxamide is O=C(NC1CCCCCCCCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-cyclododecylfuran-2-carboxamide?
The InChIKey is FVLUPZHYUVBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c18-16-13-12-15(21-16)17(20)19-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2,(H,19,20).
What are the key properties of 5-bromo-N-cyclododecylfuran-2-carboxamide?
5-bromo-N-cyclododecylfuran-2-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclododecylfuran-2-carboxamide is sourced from PubChem (CID 2072742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).