2-(N,3-diacetylanilino)-N-phenylacetamide

C18H18N2O3 — CID 113175453

IUPAC2-(N,3-diacetylanilino)-N-phenylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2)C(C)=O)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyOHRLKXNEVAVVDU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.88
Rot. Bonds5

About 2-(N,3-diacetylanilino)-N-phenylacetamide

2-(N,3-diacetylanilino)-N-phenylacetamide (PubChem CID 113175453) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(N,3-diacetylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N,3-diacetylanilino)-N-phenylacetamide
PubChem CID113175453
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(N,3-diacetylanilino)-N-phenylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2)C(C)=O)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyOHRLKXNEVAVVDU-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113173010
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
methyl 3-[acetyl-[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 113176290
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-diacetylanilino)-N-phenylacetamide?
The IUPAC name of 2-(N,3-diacetylanilino)-N-phenylacetamide (CID 113175453) is 2-(N,3-diacetylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N,3-diacetylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N,3-diacetylanilino)-N-phenylacetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccccc2)C(C)=O)c1.
What is the InChIKey of 2-(N,3-diacetylanilino)-N-phenylacetamide?
The InChIKey is OHRLKXNEVAVVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,19,23).
What are the key properties of 2-(N,3-diacetylanilino)-N-phenylacetamide?
2-(N,3-diacetylanilino)-N-phenylacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-diacetylanilino)-N-phenylacetamide is sourced from PubChem (CID 113175453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).