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

C15H20ClN3O — CID 102665596

IUPAC2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-11(2)8-18-15(20)10-19(3)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,8-10H2,1-3H3,(H,18,20)
InChIKeyFXNLWOPYEMJFEC-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.42
Rot. Bonds6

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

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 102665596) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID102665596
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-11(2)8-18-15(20)10-19(3)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,8-10H2,1-3H3,(H,18,20)
InChIKeyFXNLWOPYEMJFEC-UHFFFAOYSA-N
XLogP2.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
CID 102665299
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 102665377
2-[(2-cyano-5-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107902919
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
3-chloro-4-[[2-hydroxyethyl(methyl)amino]methyl]benzonitrile
CID 102665322
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
3-chloro-4-[[2-cyanoethyl(methyl)amino]methyl]benzonitrile
CID 102665214
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
4-[[bis(3-methylbutyl)amino]methyl]-3-chlorobenzonitrile
CID 107869790
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
3-chloro-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzonitrile
CID 102665404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 102665596) is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is FXNLWOPYEMJFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(2)8-18-15(20)10-19(3)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 293.80 g/mol, XLogP of 2.42, 6 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]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 102665596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).