3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide

C18H17Cl2FN2O2 — CID 113133971

IUPAC3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-11-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyLRZBTCKQMYCGMH-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.19
Rot. Bonds6

About 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113133971) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113133971
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-11-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyLRZBTCKQMYCGMH-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]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-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113063627
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113133971) is 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is LRZBTCKQMYCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-11-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 383.25 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113133971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).