N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C25H20N2O4 — CID 39500037

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12
InChIInChI=1S/C25H20N2O4/c1-29-16-22-21-10-2-3-11-23(21)31-24(22)25(28)27-19-8-5-9-20(13-19)30-15-18-7-4-6-17(12-18)14-26/h2-13H,15-16H2,1H3,(H,27,28)
InChIKeyPNESAAXYYBZYGK-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.28
Rot. Bonds7

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 39500037) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID39500037
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12
InChIInChI=1S/C25H20N2O4/c1-29-16-22-21-10-2-3-11-23(21)31-24(22)25(28)27-19-8-5-9-20(13-19)30-15-18-7-4-6-17(12-18)14-26/h2-13H,15-16H2,1H3,(H,27,28)
InChIKeyPNESAAXYYBZYGK-UHFFFAOYSA-N
XLogP5.28
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9070735
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 39500037) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PNESAAXYYBZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-29-16-22-21-10-2-3-11-23(21)31-24(22)25(28)27-19-8-5-9-20(13-19)30-15-18-7-4-6-17(12-18)14-26/h2-13H,15-16H2,1H3,(H,27,28).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39500037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).