N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide

C18H16Cl2N2O — CID 39862065

IUPACN-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O/c1-22(12-14-4-2-13(11-21)3-5-14)18(23)9-7-15-6-8-16(19)10-17(15)20/h2-6,8,10H,7,9,12H2,1H3
InChIKeyVALIWTBMZCZXIP-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.46
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide

N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide (PubChem CID 39862065) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
PubChem CID39862065
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O/c1-22(12-14-4-2-13(11-21)3-5-14)18(23)9-7-15-6-8-16(19)10-17(15)20/h2-6,8,10H,7,9,12H2,1H3
InChIKeyVALIWTBMZCZXIP-UHFFFAOYSA-N
XLogP4.46
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 39861213
5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 39858601

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide (CID 39862065) is N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide is CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide?
The InChIKey is VALIWTBMZCZXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-22(12-14-4-2-13(11-21)3-5-14)18(23)9-7-15-6-8-16(19)10-17(15)20/h2-6,8,10H,7,9,12H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide?
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide has a molecular weight of 347.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 39862065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).