N-(2-chloro-4-cyanophenyl)-N-methylpropanamide

C11H11ClN2O — CID 44597129

IUPACN-(2-chloro-4-cyanophenyl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-3-11(15)14(2)10-5-4-8(7-13)6-9(10)12/h4-6H,3H2,1-2H3
InChIKeyICRWCYOZHLFKCP-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.58
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-N-methylpropanamide

N-(2-chloro-4-cyanophenyl)-N-methylpropanamide (PubChem CID 44597129) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-N-methylpropanamide
PubChem CID44597129
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC NameN-(2-chloro-4-cyanophenyl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-3-11(15)14(2)10-5-4-8(7-13)6-9(10)12/h4-6H,3H2,1-2H3
InChIKeyICRWCYOZHLFKCP-UHFFFAOYSA-N
XLogP2.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
CID 63092304
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 102665377
methyl 2-(2-chloro-4-cyano-N-propan-2-ylanilino)acetate
CID 63092627
3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
CID 102665299
3-chloro-4-[propan-2-yl(propyl)amino]benzonitrile
CID 63087879
3-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 55220672
4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
CID 115319353

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-N-methylpropanamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-N-methylpropanamide (CID 44597129) is N-(2-chloro-4-cyanophenyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-N-methylpropanamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-N-methylpropanamide is CCC(=O)N(C)c1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-N-methylpropanamide?
The InChIKey is ICRWCYOZHLFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-3-11(15)14(2)10-5-4-8(7-13)6-9(10)12/h4-6H,3H2,1-2H3.
What are the key properties of N-(2-chloro-4-cyanophenyl)-N-methylpropanamide?
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide has a molecular weight of 222.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-N-methylpropanamide is sourced from PubChem (CID 44597129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).