5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide

C14H14BrNO2 — CID 803330

IUPAC5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(15)18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyAUKGEVZMXPNOHI-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.42
Rot. Bonds3

About 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide

5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 803330) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID803330
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(15)18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyAUKGEVZMXPNOHI-UHFFFAOYSA-N
XLogP4.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)furan-2-carboxamide
CID 785196
N-(4-bromophenyl)furan-2-carboxamide
CID 531895
3-Methyl-furan-2-carboxylic acid naphthalen-2-ylamide
CID 573329
4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide
CID 691566
4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acid
CID 800730
5-(4-bromophenyl)-N-(2-carbamoylphenyl)furan-2-carboxamide
CID 1997829
N-(2-methylphenyl)-2-furamide
CID 2246088
N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 306227
Piperazine amide, 4p
CID 44236954
(5r)-4-(5-Bromofuran-2-Carbonyl)-5-(4-Fluorophenyl)-7-Methyl-1,3,4,5-Tetrahydro-2h-1,4-Benzodiazepin-2-One
CID 92205686
5-(4-bromophenyl)-N-phenylfuran-2-carboxamide
CID 2904011
5-bromo-N-(2-naphthyl)-2-furamide
CID 765392

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide (CID 803330) is 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is AUKGEVZMXPNOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(15)18-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 803330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).