N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide

C20H18N2O3 — CID 2221556

IUPACN-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H18N2O3/c1-14-7-9-15(10-8-14)20(24)22-17-5-2-4-16(12-17)19(23)21-13-18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZARSLGPMCXMJY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide

N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 2221556) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID2221556
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H18N2O3/c1-14-7-9-15(10-8-14)20(24)22-17-5-2-4-16(12-17)19(23)21-13-18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZARSLGPMCXMJY-UHFFFAOYSA-N
XLogP3.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide (CID 2221556) is N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is LZARSLGPMCXMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-7-9-15(10-8-14)20(24)22-17-5-2-4-16(12-17)19(23)21-13-18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide?
N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 2221556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).