2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide

C10H13BrClNO2 — CID 106856137

IUPAC2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
SMILESCC(CCCCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H13BrClNO2/c1-7(3-2-5-12)13-10(14)8-4-6-15-9(8)11/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyBMHILZYCENJAIK-UHFFFAOYSA-N
MW294.58 g/mol
LogP3.18
Rot. Bonds5

About 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide

2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide (PubChem CID 106856137) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
PubChem CID106856137
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC Name2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
SMILESCC(CCCCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H13BrClNO2/c1-7(3-2-5-12)13-10(14)8-4-6-15-9(8)11/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyBMHILZYCENJAIK-UHFFFAOYSA-N
XLogP3.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 53.18
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

2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide (CID 106856137) is 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide is CC(CCCCl)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide?
The InChIKey is BMHILZYCENJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2/c1-7(3-2-5-12)13-10(14)8-4-6-15-9(8)11/h4,6-7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide?
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide has a molecular weight of 294.58 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106856137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).