3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide

C19H20Cl2N2O2 — CID 113133753

IUPAC3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-4-3-5-15(10-13)12-22-19(25)8-9-23(14(2)24)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyMSQKAGLOXINCOG-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.36
Rot. Bonds6

About 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113133753) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113133753
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-4-3-5-15(10-13)12-22-19(25)8-9-23(14(2)24)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyMSQKAGLOXINCOG-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
methyl 2-[acetyl-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131225
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 113133753) is 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is MSQKAGLOXINCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13-4-3-5-15(10-13)12-22-19(25)8-9-23(14(2)24)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113133753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).