N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide

C25H21NO4 — CID 28677528

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H21NO4/c27-16-23-13-14-24(30-23)19-9-11-21(12-10-19)26-25(28)20-7-4-8-22(15-20)29-17-18-5-2-1-3-6-18/h1-15,27H,16-17H2,(H,26,28)
InChIKeyUHRIIHUCSGKSLQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.27
Rot. Bonds7

About N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide

N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide (PubChem CID 28677528) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide
PubChem CID28677528
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H21NO4/c27-16-23-13-14-24(30-23)19-9-11-21(12-10-19)26-25(28)20-7-4-8-22(15-20)29-17-18-5-2-1-3-6-18/h1-15,27H,16-17H2,(H,26,28)
InChIKeyUHRIIHUCSGKSLQ-UHFFFAOYSA-N
XLogP5.27
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]pyridine-3-carboxamide
CID 28675230
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide (CID 28677528) is N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide is O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide?
The InChIKey is UHRIIHUCSGKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-16-23-13-14-24(30-23)19-9-11-21(12-10-19)26-25(28)20-7-4-8-22(15-20)29-17-18-5-2-1-3-6-18/h1-15,27H,16-17H2,(H,26,28).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 28677528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).