2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C16H12Cl3FN2O2 — CID 113180038

IUPAC2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3FN2O2/c1-9(23)22(16-11(17)3-2-4-12(16)18)8-15(24)21-10-5-6-14(20)13(19)7-10/h2-7H,8H2,1H3,(H,21,24)
InChIKeyVDBQOHYDFPWGHD-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.78
Rot. Bonds4

About 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113180038) has the molecular formula C16H12Cl3FN2O2 and a molecular weight of 389.64 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113180038
Molecular FormulaC16H12Cl3FN2O2
Molecular Weight389.64 g/mol
Exact Mass387.99
IUPAC Name2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3FN2O2/c1-9(23)22(16-11(17)3-2-4-12(16)18)8-15(24)21-10-5-6-14(20)13(19)7-10/h2-7H,8H2,1H3,(H,21,24)
InChIKeyVDBQOHYDFPWGHD-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
2-(N-acetyl-2,6-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180044
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113180038) is 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is VDBQOHYDFPWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3FN2O2/c1-9(23)22(16-11(17)3-2-4-12(16)18)8-15(24)21-10-5-6-14(20)13(19)7-10/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 389.64 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113180038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).