2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide

C9H11BrClNO2 — CID 106856184

IUPAC2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
SMILESCC(CCCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C9H11BrClNO2/c1-6(2-4-11)12-9(13)7-3-5-14-8(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyPXOHPRHIWACLSI-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.79
Rot. Bonds4

About 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide

2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide (PubChem CID 106856184) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
PubChem CID106856184
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
SMILESCC(CCCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C9H11BrClNO2/c1-6(2-4-11)12-9(13)7-3-5-14-8(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyPXOHPRHIWACLSI-UHFFFAOYSA-N
XLogP2.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.79
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-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
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-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
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
2-bromo-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 107984013
(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-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
diethyl 2-[(2-bromofuran-3-carbonyl)amino]propanedioate
CID 106855266

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide (CID 106856184) is 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide is CC(CCCl)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide?
The InChIKey is PXOHPRHIWACLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-6(2-4-11)12-9(13)7-3-5-14-8(7)10/h3,5-6H,2,4H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide?
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide has a molecular weight of 280.55 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106856184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).