5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide

C16H13BrF2N2O3 — CID 117075165

IUPAC5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESO=C1CCN(c2c(NC(=O)c3ccc(Br)o3)ccc(F)c2F)CC1
InChIInChI=1S/C16H13BrF2N2O3/c17-13-4-3-12(24-13)16(23)20-11-2-1-10(18)14(19)15(11)21-7-5-9(22)6-8-21/h1-4H,5-8H2,(H,20,23)
InChIKeyAOOXBQLBDXDWND-UHFFFAOYSA-N
MW399.19 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide

5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 117075165) has the molecular formula C16H13BrF2N2O3 and a molecular weight of 399.19 g/mol. Its IUPAC name is 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID117075165
Molecular FormulaC16H13BrF2N2O3
Molecular Weight399.19 g/mol
Exact Mass398.01
IUPAC Name5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESO=C1CCN(c2c(NC(=O)c3ccc(Br)o3)ccc(F)c2F)CC1
InChIInChI=1S/C16H13BrF2N2O3/c17-13-4-3-12(24-13)16(23)20-11-2-1-10(18)14(19)15(11)21-7-5-9(22)6-8-21/h1-4H,5-8H2,(H,20,23)
InChIKeyAOOXBQLBDXDWND-UHFFFAOYSA-N
XLogP3.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748683
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17066185
3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 16787412
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2431119
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3473060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide (CID 117075165) is 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide is O=C1CCN(c2c(NC(=O)c3ccc(Br)o3)ccc(F)c2F)CC1.
What is the InChIKey of 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is AOOXBQLBDXDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O3/c17-13-4-3-12(24-13)16(23)20-11-2-1-10(18)14(19)15(11)21-7-5-9(22)6-8-21/h1-4H,5-8H2,(H,20,23).
What are the key properties of 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 399.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3,4-difluoro-2-(4-oxopiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 117075165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).