5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C21H19BrN2O4 — CID 46488649

IUPAC5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C21H19BrN2O4/c1-27-17-5-3-2-4-15(17)13-23-20(25)12-14-6-8-16(9-7-14)24-21(26)18-10-11-19(22)28-18/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyGCYHTVMGBPGDAC-UHFFFAOYSA-N
MW443.30 g/mol
LogP4.16
Rot. Bonds7

About 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 46488649) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID46488649
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Name5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C21H19BrN2O4/c1-27-17-5-3-2-4-15(17)13-23-20(25)12-14-6-8-16(9-7-14)24-21(26)18-10-11-19(22)28-18/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyGCYHTVMGBPGDAC-UHFFFAOYSA-N
XLogP4.16
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 46488649) is 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is COc1ccccc1CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is GCYHTVMGBPGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c1-27-17-5-3-2-4-15(17)13-23-20(25)12-14-6-8-16(9-7-14)24-21(26)18-10-11-19(22)28-18/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 4.16, 7 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-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46488649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).