4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide

C19H17NO2 — CID 168525452

IUPAC4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)19(21)17-11-7-15(8-12-17)14-5-9-16(10-6-14)18-4-3-13-22-18/h3-13H,1-2H3
InChIKeyIJKCRYHNCMGOGX-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.32
Rot. Bonds3

About 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide

4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 168525452) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
PubChem CID168525452
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C19H17NO2/c1-20(2)19(21)17-11-7-15(8-12-17)14-5-9-16(10-6-14)18-4-3-13-22-18/h3-13H,1-2H3
InChIKeyIJKCRYHNCMGOGX-UHFFFAOYSA-N
XLogP4.32
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide (CID 168525452) is 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc(-c3ccco3)cc2)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is IJKCRYHNCMGOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-20(2)19(21)17-11-7-15(8-12-17)14-5-9-16(10-6-14)18-4-3-13-22-18/h3-13H,1-2H3.
What are the key properties of 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide?
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168525452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).