3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide

C14H19ClN2O3 — CID 113127188

IUPAC3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-11(18)17(13-5-3-4-12(15)10-13)8-6-14(19)16-7-9-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)
InChIKeyCHGGWQMYHVHVBT-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.85
Rot. Bonds7

About 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113127188) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113127188
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-11(18)17(13-5-3-4-12(15)10-13)8-6-14(19)16-7-9-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)
InChIKeyCHGGWQMYHVHVBT-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.85
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-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide (CID 113127188) is 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is CHGGWQMYHVHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-11(18)17(13-5-3-4-12(15)10-13)8-6-14(19)16-7-9-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 298.77 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113127188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).