N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide

C17H15ClN4O2 — CID 86910978

IUPACN-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
SMILESN#CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1
InChIInChI=1S/C17H15ClN4O2/c18-16-9-14(5-4-13(16)10-20)21-17(23)12-22(7-2-6-19)11-15-3-1-8-24-15/h1,3-5,8-9H,2,7,11-12H2,(H,21,23)
InChIKeyVVHYTOQXUHUYFD-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.16
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide (PubChem CID 86910978) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
PubChem CID86910978
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
SMILESN#CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1
InChIInChI=1S/C17H15ClN4O2/c18-16-9-14(5-4-13(16)10-20)21-17(23)12-22(7-2-6-19)11-15-3-1-8-24-15/h1,3-5,8-9H,2,7,11-12H2,(H,21,23)
InChIKeyVVHYTOQXUHUYFD-UHFFFAOYSA-N
XLogP3.16
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 78822926
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780784
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
3-(3-chloro-4-cyanophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
CID 87009116
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 60689275
N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
CID 55751321
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide (CID 86910978) is N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide is N#CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The InChIKey is VVHYTOQXUHUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-16-9-14(5-4-13(16)10-20)21-17(23)12-22(7-2-6-19)11-15-3-1-8-24-15/h1,3-5,8-9H,2,7,11-12H2,(H,21,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 86910978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).