5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide

C16H17BrN2O3 — CID 17204534

IUPAC5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-16(2,3)15(21)19-11-6-4-5-10(9-11)18-14(20)12-7-8-13(17)22-12/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyBWLICPVYMJHCDA-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.28
Rot. Bonds3

About 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide

5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 17204534) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID17204534
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-16(2,3)15(21)19-11-6-4-5-10(9-11)18-14(20)12-7-8-13(17)22-12/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyBWLICPVYMJHCDA-UHFFFAOYSA-N
XLogP4.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide (CID 17204534) is 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is BWLICPVYMJHCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-16(2,3)15(21)19-11-6-4-5-10(9-11)18-14(20)12-7-8-13(17)22-12/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17204534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).