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

C22H27ClN2O2 — CID 113127750

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C22H27ClN2O2/c1-15-6-9-18(23)14-20(15)25(16(2)26)13-12-21(27)24-19-10-7-17(8-11-19)22(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,24,27)
InChIKeyGNFXNACTQGOEJS-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.33
Rot. Bonds5

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

3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide (PubChem CID 113127750) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
PubChem CID113127750
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C22H27ClN2O2/c1-15-6-9-18(23)14-20(15)25(16(2)26)13-12-21(27)24-19-10-7-17(8-11-19)22(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,24,27)
InChIKeyGNFXNACTQGOEJS-UHFFFAOYSA-N
XLogP5.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.33
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-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
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
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-2-tert-butylanilino)-N-(4-chlorophenyl)propanamide
CID 113126459
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide (CID 113127750) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The InChIKey is GNFXNACTQGOEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-15-6-9-18(23)14-20(15)25(16(2)26)13-12-21(27)24-19-10-7-17(8-11-19)22(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,24,27).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide has a molecular weight of 386.92 g/mol, XLogP of 5.33, 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-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113127750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).