N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide

C19H21ClN4O3 — CID 8843259

IUPACN-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C19H21ClN4O3/c1-23(13-18(25)22-17-8-3-2-7-16(17)20)14-19(26)24(10-5-9-21)12-15-6-4-11-27-15/h2-4,6-8,11H,5,10,12-14H2,1H3,(H,22,25)
InChIKeyYPFCXHYQRBBCEV-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.75
Rot. Bonds9

About N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8843259) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8843259
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C19H21ClN4O3/c1-23(13-18(25)22-17-8-3-2-7-16(17)20)14-19(26)24(10-5-9-21)12-15-6-4-11-27-15/h2-4,6-8,11H,5,10,12-14H2,1H3,(H,22,25)
InChIKeyYPFCXHYQRBBCEV-UHFFFAOYSA-N
XLogP2.75
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622273
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 24534474
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087127
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
CID 54996401
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8843259) is N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YPFCXHYQRBBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-23(13-18(25)22-17-8-3-2-7-16(17)20)14-19(26)24(10-5-9-21)12-15-6-4-11-27-15/h2-4,6-8,11H,5,10,12-14H2,1H3,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 388.86 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8843259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).