N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C20H18N2O4 — CID 1157621

IUPACN-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H18N2O4/c1-14-5-2-3-6-17(14)26-13-19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNMWWAADVEZORRQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1157621) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1157621
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H18N2O4/c1-14-5-2-3-6-17(14)26-13-19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNMWWAADVEZORRQ-UHFFFAOYSA-N
XLogP3.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 1157621) is N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is NMWWAADVEZORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-14-5-2-3-6-17(14)26-13-19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1157621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).