5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide

C9H11BrClNO2 — CID 114294942

IUPAC5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrClNO2/c1-9(2,5-11)12-8(13)6-3-4-7(10)14-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCWUNZJFVPTZMKI-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.79
Rot. Bonds3

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

5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide (PubChem CID 114294942) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
PubChem CID114294942
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrClNO2/c1-9(2,5-11)12-8(13)6-3-4-7(10)14-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCWUNZJFVPTZMKI-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
N-(1-chloro-2-methylpropan-2-yl)-5-nitrofuran-2-carboxamide
CID 114295430
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355672
5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315141
N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
CID 106690035
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 166201185
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672081
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 62042010
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide (CID 114294942) is 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide is CC(C)(CCl)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide?
The InChIKey is CWUNZJFVPTZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-9(2,5-11)12-8(13)6-3-4-7(10)14-6/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide?
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide has a molecular weight of 280.55 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 114294942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).