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

C21H18BrClN2O3 — CID 46488303

IUPAC5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H18BrClN2O3/c1-13(15-3-2-4-16(23)12-15)24-20(26)11-14-5-7-17(8-6-14)25-21(27)18-9-10-19(22)28-18/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyCSCOITUNOCXINC-UHFFFAOYSA-N
MW461.74 g/mol
LogP5.37
Rot. Bonds6

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

5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 46488303) has the molecular formula C21H18BrClN2O3 and a molecular weight of 461.74 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID46488303
Molecular FormulaC21H18BrClN2O3
Molecular Weight461.74 g/mol
Exact Mass460.02
IUPAC Name5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H18BrClN2O3/c1-13(15-3-2-4-16(23)12-15)24-20(26)11-14-5-7-17(8-6-14)25-21(27)18-9-10-19(22)28-18/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyCSCOITUNOCXINC-UHFFFAOYSA-N
XLogP5.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.74
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60513275
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 46488303) is 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is CC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is CSCOITUNOCXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3/c1-13(15-3-2-4-16(23)12-15)24-20(26)11-14-5-7-17(8-6-14)25-21(27)18-9-10-19(22)28-18/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 461.74 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46488303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).