2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide

C16H11Cl2F3N2O2 — CID 113179533

IUPAC2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c1-8(24)23(9-2-3-10(17)11(18)6-9)7-14(25)22-13-5-4-12(19)15(20)16(13)21/h2-6H,7H2,1H3,(H,22,25)
InChIKeyWLMIMDXDUXWMLS-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.40
Rot. Bonds4

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

2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113179533) has the molecular formula C16H11Cl2F3N2O2 and a molecular weight of 391.18 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113179533
Molecular FormulaC16H11Cl2F3N2O2
Molecular Weight391.18 g/mol
Exact Mass390.01
IUPAC Name2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c1-8(24)23(9-2-3-10(17)11(18)6-9)7-14(25)22-13-5-4-12(19)15(20)16(13)21/h2-6H,7H2,1H3,(H,22,25)
InChIKeyWLMIMDXDUXWMLS-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
2-(N-acetyl-3-fluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113177743
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113179533) is 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is WLMIMDXDUXWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2/c1-8(24)23(9-2-3-10(17)11(18)6-9)7-14(25)22-13-5-4-12(19)15(20)16(13)21/h2-6H,7H2,1H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 391.18 g/mol, XLogP of 4.40, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113179533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).