3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide

C18H18Cl2N2O2 — CID 113134286

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-13(23)22(16-9-5-8-15(19)18(16)20)11-10-17(24)21-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyHBHYBFUWXSFHDX-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.05
Rot. Bonds6

About 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide

3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide (PubChem CID 113134286) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
PubChem CID113134286
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-13(23)22(16-9-5-8-15(19)18(16)20)11-10-17(24)21-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyHBHYBFUWXSFHDX-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide (CID 113134286) is 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide?
The InChIKey is HBHYBFUWXSFHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-13(23)22(16-9-5-8-15(19)18(16)20)11-10-17(24)21-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide has a molecular weight of 365.26 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide is sourced from PubChem (CID 113134286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).