5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide

C13H16BrNO2 — CID 61062387

IUPAC5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(Br)o1)C1CCCC1
InChIInChI=1S/C13H16BrNO2/c1-2-9-15(10-5-3-4-6-10)13(16)11-7-8-12(14)17-11/h2,7-8,10H,1,3-6,9H2
InChIKeyDYRCSSHAGLVZTA-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.61
Rot. Bonds4

About 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide

5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide (PubChem CID 61062387) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
PubChem CID61062387
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(Br)o1)C1CCCC1
InChIInChI=1S/C13H16BrNO2/c1-2-9-15(10-5-3-4-6-10)13(16)11-7-8-12(14)17-11/h2,7-8,10H,1,3-6,9H2
InChIKeyDYRCSSHAGLVZTA-UHFFFAOYSA-N
XLogP3.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide (CID 61062387) is 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide is C=CCN(C(=O)c1ccc(Br)o1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is DYRCSSHAGLVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-2-9-15(10-5-3-4-6-10)13(16)11-7-8-12(14)17-11/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide?
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 61062387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).