3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide

C16H16Cl2N2O3 — CID 113133857

IUPAC3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-11(21)20(15-5-4-12(17)9-14(15)18)7-6-16(22)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyNRJOKVIBTLWHFT-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.65
Rot. Bonds6

About 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide

3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 113133857) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID113133857
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-11(21)20(15-5-4-12(17)9-14(15)18)7-6-16(22)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyNRJOKVIBTLWHFT-UHFFFAOYSA-N
XLogP3.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide (CID 113133857) is 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NRJOKVIBTLWHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-11(21)20(15-5-4-12(17)9-14(15)18)7-6-16(22)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,22).
What are the key properties of 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide?
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 355.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113133857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).