2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

C17H14ClN3O3 — CID 8977371

IUPAC2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c18-15-9-13(10-20)4-5-16(15)24-12-17(22)21(7-2-6-19)11-14-3-1-8-23-14/h1,3-5,8-9H,2,7,11-12H2
InChIKeyZBTVSXRQGFEGAG-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.13
Rot. Bonds7

About 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 8977371) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID8977371
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c18-15-9-13(10-20)4-5-16(15)24-12-17(22)21(7-2-6-19)11-14-3-1-8-23-14/h1,3-5,8-9H,2,7,11-12H2
InChIKeyZBTVSXRQGFEGAG-UHFFFAOYSA-N
XLogP3.13
TPSA90.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38898878
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 114917928
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 51130616
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
3-chloro-4-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzonitrile
CID 8976583

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (CID 8977371) is 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is N#CCCN(Cc1ccco1)C(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZBTVSXRQGFEGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-15-9-13(10-20)4-5-16(15)24-12-17(22)21(7-2-6-19)11-14-3-1-8-23-14/h1,3-5,8-9H,2,7,11-12H2.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 343.77 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 8977371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).