2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

C19H16BrNO3 — CID 28666456

IUPAC2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C19H16BrNO3/c20-15-5-1-13(2-6-15)11-19(23)21-16-7-3-14(4-8-16)18-10-9-17(12-22)24-18/h1-10,22H,11-12H2,(H,21,23)
InChIKeyPSNDWBYEYUHBKX-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.38
Rot. Bonds5

About 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (PubChem CID 28666456) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
PubChem CID28666456
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C19H16BrNO3/c20-15-5-1-13(2-6-15)11-19(23)21-16-7-3-14(4-8-16)18-10-9-17(12-22)24-18/h1-10,22H,11-12H2,(H,21,23)
InChIKeyPSNDWBYEYUHBKX-UHFFFAOYSA-N
XLogP4.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28686635
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2,2-diphenylacetamide
CID 28666297
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
CID 28668494
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (CID 28666456) is 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The InChIKey is PSNDWBYEYUHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c20-15-5-1-13(2-6-15)11-19(23)21-16-7-3-14(4-8-16)18-10-9-17(12-22)24-18/h1-10,22H,11-12H2,(H,21,23).
What are the key properties of 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide has a molecular weight of 386.25 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is sourced from PubChem (CID 28666456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).