5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide

C14H13BrFNO3 — CID 110792846

IUPAC5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Br)o2)cc1F
InChIInChI=1S/C14H13BrFNO3/c1-8(2)19-11-4-3-9(7-10(11)16)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyFWTOORUWJCCPLK-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide

5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide (PubChem CID 110792846) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
PubChem CID110792846
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Name5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Br)o2)cc1F
InChIInChI=1S/C14H13BrFNO3/c1-8(2)19-11-4-3-9(7-10(11)16)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyFWTOORUWJCCPLK-UHFFFAOYSA-N
XLogP4.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide (CID 110792846) is 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccc(Br)o2)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide?
The InChIKey is FWTOORUWJCCPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-8(2)19-11-4-3-9(7-10(11)16)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide?
5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide has a molecular weight of 342.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 110792846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).