5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide

C16H18BrNO2 — CID 115606453

IUPAC5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrNO2/c1-16(2,11-10-12-6-4-3-5-7-12)18-15(19)13-8-9-14(17)20-13/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyDEAWJSQBDBMGKF-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.18
Rot. Bonds5

About 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide (PubChem CID 115606453) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
PubChem CID115606453
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrNO2/c1-16(2,11-10-12-6-4-3-5-7-12)18-15(19)13-8-9-14(17)20-13/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyDEAWJSQBDBMGKF-UHFFFAOYSA-N
XLogP4.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 62042010
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 166201185
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672081
5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315141
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide (CID 115606453) is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide is CC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide?
The InChIKey is DEAWJSQBDBMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-16(2,11-10-12-6-4-3-5-7-12)18-15(19)13-8-9-14(17)20-13/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide?
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 115606453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).