2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide

C18H18Cl2N2O2 — CID 113179432

IUPAC2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-22(13(2)23)15-8-9-16(19)17(20)10-15/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyGJGSYGLQWPQLPW-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.22
Rot. Bonds5

About 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide

2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide (PubChem CID 113179432) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
PubChem CID113179432
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-22(13(2)23)15-8-9-16(19)17(20)10-15/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyGJGSYGLQWPQLPW-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
2-(N-acetyl-2,3-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113180102
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
CID 113171855
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 113178821
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30305594
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902194
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 132668663
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179490

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide (CID 113179432) is 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide is CC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is GJGSYGLQWPQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-22(13(2)23)15-8-9-16(19)17(20)10-15/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide?
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 365.26 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).