N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide

C17H18ClN3O3 — CID 78823068

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(CCC#N)Cc1ccco1
InChIInChI=1S/C17H18ClN3O3/c1-23-16-6-5-13(18)10-15(16)20-17(22)12-21(8-3-7-19)11-14-4-2-9-24-14/h2,4-6,9-10H,3,8,11-12H2,1H3,(H,20,22)
InChIKeyDGATZXFPKZIOIV-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.30
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide (PubChem CID 78823068) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
PubChem CID78823068
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(CCC#N)Cc1ccco1
InChIInChI=1S/C17H18ClN3O3/c1-23-16-6-5-13(18)10-15(16)20-17(22)12-21(8-3-7-19)11-14-4-2-9-24-14/h2,4-6,9-10H,3,8,11-12H2,1H3,(H,20,22)
InChIKeyDGATZXFPKZIOIV-UHFFFAOYSA-N
XLogP3.30
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 78822926
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[bis(furan-2-ylmethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 26603771
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide (CID 78823068) is N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(CCC#N)Cc1ccco1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
The InChIKey is DGATZXFPKZIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-16-6-5-13(18)10-15(16)20-17(22)12-21(8-3-7-19)11-14-4-2-9-24-14/h2,4-6,9-10H,3,8,11-12H2,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 78823068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).