N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C19H14Cl2N2O4 — CID 37026412

IUPACN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14Cl2N2O4/c20-15-7-6-14(10-16(15)21)27-11-18(24)22-12-3-1-4-13(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDWWYFYPIKOAUMX-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.86
Rot. Bonds6

About N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 37026412) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID37026412
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14Cl2N2O4/c20-15-7-6-14(10-16(15)21)27-11-18(24)22-12-3-1-4-13(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDWWYFYPIKOAUMX-UHFFFAOYSA-N
XLogP4.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 37026412) is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is DWWYFYPIKOAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c20-15-7-6-14(10-16(15)21)27-11-18(24)22-12-3-1-4-13(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 405.24 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 37026412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).