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

C20H22ClN3O3 — CID 113127781

IUPACN-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13-4-5-16(21)12-19(13)24(15(3)26)11-10-20(27)23-18-8-6-17(7-9-18)22-14(2)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyLRDJVTJQBUZDAB-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.99
Rot. Bonds6

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

N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide (PubChem CID 113127781) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
PubChem CID113127781
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13-4-5-16(21)12-19(13)24(15(3)26)11-10-20(27)23-18-8-6-17(7-9-18)22-14(2)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyLRDJVTJQBUZDAB-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113127750
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-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
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
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide (CID 113127781) is N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide?
The InChIKey is LRDJVTJQBUZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-4-5-16(21)12-19(13)24(15(3)26)11-10-20(27)23-18-8-6-17(7-9-18)22-14(2)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide?
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 113127781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).