5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C22H21BrN2O4 — CID 55908761

IUPAC5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H21BrN2O4/c1-14(2)28-18-9-4-3-6-16(18)13-24-21(26)15-7-5-8-17(12-15)25-22(27)19-10-11-20(23)29-19/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBIRWWVMWZXUMD-UHFFFAOYSA-N
MW457.32 g/mol
LogP5.01
Rot. Bonds7

About 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55908761) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55908761
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H21BrN2O4/c1-14(2)28-18-9-4-3-6-16(18)13-24-21(26)15-7-5-8-17(12-15)25-22(27)19-10-11-20(23)29-19/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBIRWWVMWZXUMD-UHFFFAOYSA-N
XLogP5.01
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
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CID 3460668
5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55908761) is 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is CC(C)Oc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WBIRWWVMWZXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-14(2)28-18-9-4-3-6-16(18)13-24-21(26)15-7-5-8-17(12-15)25-22(27)19-10-11-20(23)29-19/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55908761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).