3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide

C20H23ClN2O3 — CID 113128529

IUPAC3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1N(CCC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C20H23ClN2O3/c1-13-5-6-14(2)17(11-13)22-20(25)9-10-23(15(3)24)18-12-16(21)7-8-19(18)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyRGHCTOXJZNQZGJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.35
Rot. Bonds6

About 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide

3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113128529) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113128529
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1N(CCC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C20H23ClN2O3/c1-13-5-6-14(2)17(11-13)22-20(25)9-10-23(15(3)24)18-12-16(21)7-8-19(18)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyRGHCTOXJZNQZGJ-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113128529) is 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide is COc1ccc(Cl)cc1N(CCC(=O)Nc1cc(C)ccc1C)C(C)=O.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is RGHCTOXJZNQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-5-6-14(2)17(11-13)22-20(25)9-10-23(15(3)24)18-12-16(21)7-8-19(18)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113128529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).