3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C21H25ClN2O3 — CID 113127770

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C21H25ClN2O3/c1-14(2)27-20-8-6-5-7-18(20)23-21(26)11-12-24(16(4)25)19-13-17(22)10-9-15(19)3/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyQNYDLTDOGMAWFP-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.82
Rot. Bonds7

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

3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113127770) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113127770
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C21H25ClN2O3/c1-14(2)27-20-8-6-5-7-18(20)23-21(26)11-12-24(16(4)25)19-13-17(22)10-9-15(19)3/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyQNYDLTDOGMAWFP-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
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-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113171415
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 113127770) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is QNYDLTDOGMAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(2)27-20-8-6-5-7-18(20)23-21(26)11-12-24(16(4)25)19-13-17(22)10-9-15(19)3/h5-10,13-14H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 388.90 g/mol, XLogP of 4.82, 7 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-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113127770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).