2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide

C21H20N2O3 — CID 90681433

IUPAC2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H20N2O3/c1-15(24)23-19-5-2-4-18(13-19)17-9-7-16(8-10-17)12-21(25)22-14-20-6-3-11-26-20/h2-11,13H,12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyPMQNTVFESMUTOW-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide

2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 90681433) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID90681433
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H20N2O3/c1-15(24)23-19-5-2-4-18(13-19)17-9-7-16(8-10-17)12-21(25)22-14-20-6-3-11-26-20/h2-11,13H,12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyPMQNTVFESMUTOW-UHFFFAOYSA-N
XLogP3.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17199915
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide (CID 90681433) is 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide is CC(=O)Nc1cccc(-c2ccc(CC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PMQNTVFESMUTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(24)23-19-5-2-4-18(13-19)17-9-7-16(8-10-17)12-21(25)22-14-20-6-3-11-26-20/h2-11,13H,12,14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 90681433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).