N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide

C19H16BrNO3 — CID 42372295

IUPACN-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1Cc1ccccc1
InChIInChI=1S/C19H16BrNO3/c1-23-16-8-7-15(21-19(22)17-9-10-18(20)24-17)12-14(16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyNAKCDLSVGUKUCW-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.89
Rot. Bonds5

About N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide

N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide (PubChem CID 42372295) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
PubChem CID42372295
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)o2)cc1Cc1ccccc1
InChIInChI=1S/C19H16BrNO3/c1-23-16-8-7-15(21-19(22)17-9-10-18(20)24-17)12-14(16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyNAKCDLSVGUKUCW-UHFFFAOYSA-N
XLogP4.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488649
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 24575094
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide (CID 42372295) is N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide is COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide?
The InChIKey is NAKCDLSVGUKUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-23-16-8-7-15(21-19(22)17-9-10-18(20)24-17)12-14(16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide?
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 42372295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).