3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide

C19H20Cl2N2O2 — CID 113118703

IUPAC3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-5-3-6-15(11-13)12-23(14(2)24)10-9-18(25)22-19-16(20)7-4-8-17(19)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyZQSXRRLRGAGYGK-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.68
Rot. Bonds6

About 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113118703) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID113118703
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-5-3-6-15(11-13)12-23(14(2)24)10-9-18(25)22-19-16(20)7-4-8-17(19)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyZQSXRRLRGAGYGK-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161924

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide (CID 113118703) is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C)c1.
What is the InChIKey of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is ZQSXRRLRGAGYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13-5-3-6-15(11-13)12-23(14(2)24)10-9-18(25)22-19-16(20)7-4-8-17(19)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113118703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).