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

C18H17Cl3N2O2 — CID 113133973

IUPAC3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(17-10-14(19)6-7-16(17)21)9-8-18(25)22-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyUEXNPSITMUFLOW-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.71
Rot. Bonds6

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

3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113133973) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113133973
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(17-10-14(19)6-7-16(17)21)9-8-18(25)22-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyUEXNPSITMUFLOW-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide (CID 113133973) is 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is UEXNPSITMUFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-12(24)23(17-10-14(19)6-7-16(17)21)9-8-18(25)22-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 399.71 g/mol, XLogP of 4.71, 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-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113133973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).