5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C22H21BrN2O4 — CID 55772378

IUPAC5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H21BrN2O4/c1-14-6-7-18(28-2)15(12-14)10-11-24-21(26)16-4-3-5-17(13-16)25-22(27)19-8-9-20(23)29-19/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWQBOOXUXPFMEPI-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.58
Rot. Bonds7

About 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55772378) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55772378
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H21BrN2O4/c1-14-6-7-18(28-2)15(12-14)10-11-24-21(26)16-4-3-5-17(13-16)25-22(27)19-8-9-20(23)29-19/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWQBOOXUXPFMEPI-UHFFFAOYSA-N
XLogP4.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 55772378) is 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is COc1ccc(C)cc1CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WQBOOXUXPFMEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-14-6-7-18(28-2)15(12-14)10-11-24-21(26)16-4-3-5-17(13-16)25-22(27)19-8-9-20(23)29-19/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55772378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).