2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C16H13Cl2FN2O2 — CID 113171403

IUPAC2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2O2/c1-10(22)21(13-4-2-3-11(17)7-13)9-16(23)20-12-5-6-15(19)14(18)8-12/h2-8H,9H2,1H3,(H,20,23)
InChIKeyMTNPFSSQJGZNKK-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.12
Rot. Bonds4

About 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113171403) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113171403
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2O2/c1-10(22)21(13-4-2-3-11(17)7-13)9-16(23)20-12-5-6-15(19)14(18)8-12/h2-8H,9H2,1H3,(H,20,23)
InChIKeyMTNPFSSQJGZNKK-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113171403) is 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is MTNPFSSQJGZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c1-10(22)21(13-4-2-3-11(17)7-13)9-16(23)20-12-5-6-15(19)14(18)8-12/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(N-acetyl-3-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 355.20 g/mol, XLogP of 4.12, 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-chloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113171403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).