N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide

C18H17ClN2O — CID 31988955

IUPACN-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C18H17ClN2O/c1-21(13-16-6-9-17(19)10-7-16)18(22)11-8-14-2-4-15(12-20)5-3-14/h2-7,9-10H,8,11,13H2,1H3
InChIKeyGOLTWHRFPORJHD-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.80
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide

N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide (PubChem CID 31988955) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
PubChem CID31988955
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C18H17ClN2O/c1-21(13-16-6-9-17(19)10-7-16)18(22)11-8-14-2-4-15(12-20)5-3-14/h2-7,9-10H,8,11,13H2,1H3
InChIKeyGOLTWHRFPORJHD-UHFFFAOYSA-N
XLogP3.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide (CID 31988955) is N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide is CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide?
The InChIKey is GOLTWHRFPORJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-21(13-16-6-9-17(19)10-7-16)18(22)11-8-14-2-4-15(12-20)5-3-14/h2-7,9-10H,8,11,13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide?
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide is sourced from PubChem (CID 31988955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).