2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide

C16H14Cl2N2O2 — CID 113179470

IUPAC2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(21)20(13-7-8-14(17)15(18)9-13)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJAKAAWSSDKYMGR-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.98
Rot. Bonds4

About 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide

2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide (PubChem CID 113179470) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
PubChem CID113179470
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(21)20(13-7-8-14(17)15(18)9-13)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJAKAAWSSDKYMGR-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113179508
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3,4-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113179486
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide (CID 113179470) is 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide is CC(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide?
The InChIKey is JAKAAWSSDKYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-11(21)20(13-7-8-14(17)15(18)9-13)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide?
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide has a molecular weight of 337.21 g/mol, XLogP of 3.98, 4 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-phenylacetamide is sourced from PubChem (CID 113179470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).