3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide

C15H21ClN2O3 — CID 113127820

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O3/c1-11-10-13(16)4-5-14(11)18(12(2)19)8-6-15(20)17-7-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyYWJCYPAZITVWRP-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.15
Rot. Bonds7

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

3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113127820) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113127820
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O3/c1-11-10-13(16)4-5-14(11)18(12(2)19)8-6-15(20)17-7-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyYWJCYPAZITVWRP-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide (CID 113127820) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is YWJCYPAZITVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11-10-13(16)4-5-14(11)18(12(2)19)8-6-15(20)17-7-9-21-3/h4-5,10H,6-9H2,1-3H3,(H,17,20).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 2.15, 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-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113127820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).