3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide

C16H22Cl2N2O2 — CID 113133885

IUPAC3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-3-4-5-9-19-16(22)8-10-20(12(2)21)15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyQJNWQFSGCXXFAW-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.04
Rot. Bonds8

About 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide

3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide (PubChem CID 113133885) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
PubChem CID113133885
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-3-4-5-9-19-16(22)8-10-20(12(2)21)15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyQJNWQFSGCXXFAW-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
CID 113133839
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
3-(N-acetyl-4-bromo-2-methylanilino)-N-butylpropanamide
CID 113132728
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113063627
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide (CID 113133885) is 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide is CCCCCNC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide?
The InChIKey is QJNWQFSGCXXFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-3-4-5-9-19-16(22)8-10-20(12(2)21)15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22).
What are the key properties of 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide?
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide has a molecular weight of 345.27 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide is sourced from PubChem (CID 113133885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).