3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide

C20H23ClN2O3 — CID 113128420

IUPAC3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-13-5-6-16(11-14(13)2)22-20(25)9-10-23(15(3)24)17-7-8-19(26-4)18(21)12-17/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyHMEZEEHTWHSYOO-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.35
Rot. Bonds6

About 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113128420) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID113128420
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-13-5-6-16(11-14(13)2)22-20(25)9-10-23(15(3)24)17-7-8-19(26-4)18(21)12-17/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyHMEZEEHTWHSYOO-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-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide (CID 113128420) is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1Cl.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is HMEZEEHTWHSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-5-6-16(11-14(13)2)22-20(25)9-10-23(15(3)24)17-7-8-19(26-4)18(21)12-17/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-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-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113128420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).