2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide

C11H12ClN3O — CID 102665299

IUPAC2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,6-7H2,1H3,(H2,14,16)
InChIKeyOSGCSXTXXGKHDV-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.13
Rot. Bonds4

About 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide (PubChem CID 102665299) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
PubChem CID102665299
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,6-7H2,1H3,(H2,14,16)
InChIKeyOSGCSXTXXGKHDV-UHFFFAOYSA-N
XLogP1.13
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 102665377
3-chloro-4-[[2-hydroxyethyl(methyl)amino]methyl]benzonitrile
CID 102665322
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 102665596
3-chloro-4-[[2-cyanoethyl(methyl)amino]methyl]benzonitrile
CID 102665214
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 102665445
3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321
3-chloro-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzonitrile
CID 102665404
2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
CID 107810355
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide (CID 102665299) is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide?
The InChIKey is OSGCSXTXXGKHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide?
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide has a molecular weight of 237.69 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 102665299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).