2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide

C17H22ClN3O2 — CID 9136887

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H22ClN3O2/c1-21(10-13-9-14(18)5-6-15(13)23-2)11-16(22)20-17(12-19)7-3-4-8-17/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyYZXKOTDMUVAJEW-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.73
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 9136887) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID9136887
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H22ClN3O2/c1-21(10-13-9-14(18)5-6-15(13)23-2)11-16(22)20-17(12-19)7-3-4-8-17/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyYZXKOTDMUVAJEW-UHFFFAOYSA-N
XLogP2.73
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9136775
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592214
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide (CID 9136887) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is YZXKOTDMUVAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-21(10-13-9-14(18)5-6-15(13)23-2)11-16(22)20-17(12-19)7-3-4-8-17/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 9136887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).