N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

C27H21N3O4 — CID 55872708

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C27H21N3O4/c28-17-20-11-7-8-14-23(20)33-18-22-15-16-24(34-22)26(31)30-25(19-9-3-1-4-10-19)27(32)29-21-12-5-2-6-13-21/h1-16,25H,18H2,(H,29,32)(H,30,31)
InChIKeyHLZXXGLNPGTYRG-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.84
Rot. Bonds8

About N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (PubChem CID 55872708) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
PubChem CID55872708
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C27H21N3O4/c28-17-20-11-7-8-14-23(20)33-18-22-15-16-24(34-22)26(31)30-25(19-9-3-1-4-10-19)27(32)29-21-12-5-2-6-13-21/h1-16,25H,18H2,(H,29,32)(H,30,31)
InChIKeyHLZXXGLNPGTYRG-UHFFFAOYSA-N
XLogP4.84
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140
5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide
CID 55823378
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
CID 48585316
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide
CID 97254540
5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
CID 87024322
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (CID 55872708) is N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The InChIKey is HLZXXGLNPGTYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c28-17-20-11-7-8-14-23(20)33-18-22-15-16-24(34-22)26(31)30-25(19-9-3-1-4-10-19)27(32)29-21-12-5-2-6-13-21/h1-16,25H,18H2,(H,29,32)(H,30,31).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).