N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide

C19H20ClN3O — CID 47056009

IUPACN-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-11-23(13-16-9-7-15(12-21)8-10-16)14-19(24)22-18-6-4-3-5-17(18)20/h3-10H,2,11,13-14H2,1H3,(H,22,24)
InChIKeyBEQRBGQFSASFSK-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.06
Rot. Bonds7

About N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide

N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide (PubChem CID 47056009) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
PubChem CID47056009
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-11-23(13-16-9-7-15(12-21)8-10-16)14-19(24)22-18-6-4-3-5-17(18)20/h3-10H,2,11,13-14H2,1H3,(H,22,24)
InChIKeyBEQRBGQFSASFSK-UHFFFAOYSA-N
XLogP4.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-[(4-cyanophenyl)methyl-propylamino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55843360
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 11971642
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
3-(2-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62981730

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide (CID 47056009) is N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide?
The InChIKey is BEQRBGQFSASFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-11-23(13-16-9-7-15(12-21)8-10-16)14-19(24)22-18-6-4-3-5-17(18)20/h3-10H,2,11,13-14H2,1H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide?
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide has a molecular weight of 341.84 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide is sourced from PubChem (CID 47056009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).