N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide

C21H20N2O4 — CID 4938454

IUPACN-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4/c1-15-6-4-7-16(12-15)27-14-20(24)23-19-10-3-2-9-18(19)21(25)22-13-17-8-5-11-26-17/h2-12H,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyQKLVATYTPAJUOF-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.54
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide (PubChem CID 4938454) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
PubChem CID4938454
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4/c1-15-6-4-7-16(12-15)27-14-20(24)23-19-10-3-2-9-18(19)21(25)22-13-17-8-5-11-26-17/h2-12H,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyQKLVATYTPAJUOF-UHFFFAOYSA-N
XLogP3.54
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9319749
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24507737
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide (CID 4938454) is N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide is Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is QKLVATYTPAJUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15-6-4-7-16(12-15)27-14-20(24)23-19-10-3-2-9-18(19)21(25)22-13-17-8-5-11-26-17/h2-12H,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 364.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4938454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).