5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C22H19BrF2N2O4 — CID 60513275

IUPAC5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-13(15-3-2-4-17(12-15)30-22(24)25)26-20(28)11-14-5-7-16(8-6-14)27-21(29)18-9-10-19(23)31-18/h2-10,12-13,22H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyAZSCSQBJSAJDIP-UHFFFAOYSA-N
MW493.30 g/mol
LogP5.32
Rot. Bonds8

About 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 60513275) has the molecular formula C22H19BrF2N2O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID60513275
Molecular FormulaC22H19BrF2N2O4
Molecular Weight493.30 g/mol
Exact Mass492.05
IUPAC Name5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-13(15-3-2-4-17(12-15)30-22(24)25)26-20(28)11-14-5-7-16(8-6-14)27-21(29)18-9-10-19(23)31-18/h2-10,12-13,22H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyAZSCSQBJSAJDIP-UHFFFAOYSA-N
XLogP5.32
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.30
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 124884144
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5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
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CID 55851418
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 60513275) is 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is CC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is AZSCSQBJSAJDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O4/c1-13(15-3-2-4-17(12-15)30-22(24)25)26-20(28)11-14-5-7-16(8-6-14)27-21(29)18-9-10-19(23)31-18/h2-10,12-13,22H,11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 493.30 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 60513275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).