3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide

C12H13ClN2O — CID 82116808

IUPAC3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(C#N)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-15(2)12(16)10(8-14)7-9-3-5-11(13)6-4-9/h3-6,10H,7H2,1-2H3
InChIKeyVNBHFWDOETVANO-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.11
Rot. Bonds3

About 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide

3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide (PubChem CID 82116808) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide
PubChem CID82116808
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(C#N)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-15(2)12(16)10(8-14)7-9-3-5-11(13)6-4-9/h3-6,10H,7H2,1-2H3
InChIKeyVNBHFWDOETVANO-UHFFFAOYSA-N
XLogP2.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82118131
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
CID 82115986
2-cyano-3-[4-(dimethylamino)phenyl]propanamide
CID 3145868
3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
CID 82139574
2-cyano-3-(4-methylphenyl)propanamide
CID 121217853
(2R)-2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-3-oxopropanoic acid
CID 21338609
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115985802
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
4-[2-(4-chlorophenyl)-2-cyanoethyl]benzoic acid
CID 82139671

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide (CID 82116808) is 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide is CN(C)C(=O)C(C#N)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide?
The InChIKey is VNBHFWDOETVANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15(2)12(16)10(8-14)7-9-3-5-11(13)6-4-9/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide?
3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide has a molecular weight of 236.70 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide is sourced from PubChem (CID 82116808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).