3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide

C17H25ClN2O2 — CID 113127871

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C17H25ClN2O2/c1-5-6-10-19(4)17(22)9-11-20(14(3)21)16-8-7-15(18)12-13(16)2/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyJBWGLAVLDJQPOR-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.65
Rot. Bonds7

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide (PubChem CID 113127871) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
PubChem CID113127871
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C17H25ClN2O2/c1-5-6-10-19(4)17(22)9-11-20(14(3)21)16-8-7-15(18)12-13(16)2/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyJBWGLAVLDJQPOR-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
CID 109006202
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
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide (CID 113127871) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCN(C(C)=O)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide?
The InChIKey is JBWGLAVLDJQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-5-6-10-19(4)17(22)9-11-20(14(3)21)16-8-7-15(18)12-13(16)2/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide has a molecular weight of 324.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide is sourced from PubChem (CID 113127871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).