2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide

C12H13BrN2O2 — CID 106852142

IUPAC2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
SMILESN#CCN(C(=O)c1ccoc1Br)C1CCCC1
InChIInChI=1S/C12H13BrN2O2/c13-11-10(5-8-17-11)12(16)15(7-6-14)9-3-1-2-4-9/h5,8-9H,1-4,7H2
InChIKeyQBHKMXNTRQOJDY-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide

2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide (PubChem CID 106852142) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
PubChem CID106852142
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
SMILESN#CCN(C(=O)c1ccoc1Br)C1CCCC1
InChIInChI=1S/C12H13BrN2O2/c13-11-10(5-8-17-11)12(16)15(7-6-14)9-3-1-2-4-9/h5,8-9H,1-4,7H2
InChIKeyQBHKMXNTRQOJDY-UHFFFAOYSA-N
XLogP2.95
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337544
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
(2-bromofuran-3-yl)-cyclopentylmethanone
CID 106856555
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide (CID 106852142) is 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide is N#CCN(C(=O)c1ccoc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide?
The InChIKey is QBHKMXNTRQOJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-11-10(5-8-17-11)12(16)15(7-6-14)9-3-1-2-4-9/h5,8-9H,1-4,7H2.
What are the key properties of 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide?
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide is sourced from PubChem (CID 106852142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).