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

C20H23ClN2O2 — CID 113127741

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C20H23ClN2O2/c1-4-16-7-5-6-8-18(16)22-20(25)11-12-23(15(3)24)19-13-17(21)10-9-14(19)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,25)
InChIKeyRSZCOJSTKGOFNZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.59
Rot. Bonds6

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

3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113127741) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113127741
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C20H23ClN2O2/c1-4-16-7-5-6-8-18(16)22-20(25)11-12-23(15(3)24)19-13-17(21)10-9-14(19)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,25)
InChIKeyRSZCOJSTKGOFNZ-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2,5-dichloroanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134010
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide (CID 113127741) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is RSZCOJSTKGOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-16-7-5-6-8-18(16)22-20(25)11-12-23(15(3)24)19-13-17(21)10-9-14(19)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.59, 6 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-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113127741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).