N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide

C9H11BrClNO2 — CID 106690035

IUPACN-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
SMILESCC(C)(CBr)NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11BrClNO2/c1-9(2,5-10)12-8(13)6-3-4-7(11)14-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCIEWGZHBMFGMIR-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.84
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide

N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide (PubChem CID 106690035) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
PubChem CID106690035
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
SMILESCC(C)(CBr)NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11BrClNO2/c1-9(2,5-10)12-8(13)6-3-4-7(11)14-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCIEWGZHBMFGMIR-UHFFFAOYSA-N
XLogP2.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61144631
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 82344173
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide (CID 106690035) is N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide is CC(C)(CBr)NC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide?
The InChIKey is CIEWGZHBMFGMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-9(2,5-10)12-8(13)6-3-4-7(11)14-6/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide has a molecular weight of 280.55 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106690035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).