3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide

C19H20Cl2N2O2 — CID 113127759

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O2/c1-12-5-7-16(11-17(12)21)22-19(25)8-9-23(14(3)24)18-10-15(20)6-4-13(18)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyLETBKIKBDAVUEX-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.99
Rot. Bonds5

About 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide

3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113127759) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113127759
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O2/c1-12-5-7-16(11-17(12)21)22-19(25)8-9-23(14(3)24)18-10-15(20)6-4-13(18)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyLETBKIKBDAVUEX-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113127750
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide (CID 113127759) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is LETBKIKBDAVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-12-5-7-16(11-17(12)21)22-19(25)8-9-23(14(3)24)18-10-15(20)6-4-13(18)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113127759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).