5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide

C20H18BrN3O3 — CID 86847745

IUPAC5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)N(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1
InChIInChI=1S/C20H18BrN3O3/c1-13(2)24(16-7-4-10-22-12-16)20(26)14-5-3-6-15(11-14)23-19(25)17-8-9-18(21)27-17/h3-13H,1-2H3,(H,23,25)
InChIKeyDHWUYIOGFAIVBT-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.74
Rot. Bonds5

About 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86847745) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID86847745
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)N(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1
InChIInChI=1S/C20H18BrN3O3/c1-13(2)24(16-7-4-10-22-12-16)20(26)14-5-3-6-15(11-14)23-19(25)17-8-9-18(21)27-17/h3-13H,1-2H3,(H,23,25)
InChIKeyDHWUYIOGFAIVBT-UHFFFAOYSA-N
XLogP4.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
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CID 9323689
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 86847745) is 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide is CC(C)N(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1.
What is the InChIKey of 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is DHWUYIOGFAIVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-13(2)24(16-7-4-10-22-12-16)20(26)14-5-3-6-15(11-14)23-19(25)17-8-9-18(21)27-17/h3-13H,1-2H3,(H,23,25).
What are the key properties of 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86847745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).