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

C21H25ClN2O3 — CID 113134472

IUPAC3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-5-16-8-6-7-9-18(16)23-21(26)10-11-24(15(3)25)19-12-14(2)17(22)13-20(19)27-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyTVAHSZLGECASRN-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.60
Rot. Bonds7

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

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113134472) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113134472
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-5-16-8-6-7-9-18(16)23-21(26)10-11-24(15(3)25)19-12-14(2)17(22)13-20(19)27-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyTVAHSZLGECASRN-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961
ethyl 2-[acetyl-[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 113134619
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113134445
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide (CID 113134472) is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is TVAHSZLGECASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-5-16-8-6-7-9-18(16)23-21(26)10-11-24(15(3)25)19-12-14(2)17(22)13-20(19)27-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 388.90 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113134472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).