5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide

C20H17BrN2O4 — CID 46323224

IUPAC5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H17BrN2O4/c1-12-4-3-5-13(10-12)19(24)23-15-11-14(6-7-16(15)26-2)22-20(25)17-8-9-18(21)27-17/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyXFNARERMLNPAPY-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.86
Rot. Bonds5

About 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 46323224) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID46323224
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Name5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H17BrN2O4/c1-12-4-3-5-13(10-12)19(24)23-15-11-14(6-7-16(15)26-2)22-20(25)17-8-9-18(21)27-17/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyXFNARERMLNPAPY-UHFFFAOYSA-N
XLogP4.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
CID 39193798
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323
5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide
CID 4503366
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164546
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide (CID 46323224) is 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is XFNARERMLNPAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-12-4-3-5-13(10-12)19(24)23-15-11-14(6-7-16(15)26-2)22-20(25)17-8-9-18(21)27-17/h3-11H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46323224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).