N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide

C19H16N2O3 — CID 86994457

IUPACN-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H16N2O3/c1-13(23-16-8-6-14(11-20)7-9-16)19(22)21-12-17-10-15-4-2-3-5-18(15)24-17/h2-10,13H,12H2,1H3,(H,21,22)
InChIKeyRXERTHADJQALNW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.39
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide

N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide (PubChem CID 86994457) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
PubChem CID86994457
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H16N2O3/c1-13(23-16-8-6-14(11-20)7-9-16)19(22)21-12-17-10-15-4-2-3-5-18(15)24-17/h2-10,13H,12H2,1H3,(H,21,22)
InChIKeyRXERTHADJQALNW-UHFFFAOYSA-N
XLogP3.39
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 55660949
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide (CID 86994457) is N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide?
The InChIKey is RXERTHADJQALNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13(23-16-8-6-14(11-20)7-9-16)19(22)21-12-17-10-15-4-2-3-5-18(15)24-17/h2-10,13H,12H2,1H3,(H,21,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide?
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide has a molecular weight of 320.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 86994457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).