2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide

C13H17Cl2FN2O — CID 83079465

IUPAC2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-4-13(2,3)18-11(19)7-17-12-9(14)5-8(16)6-10(12)15/h5-6,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyZWZKKVVRFXQSBU-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.85
Rot. Bonds5

About 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide

2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 83079465) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID83079465
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-4-13(2,3)18-11(19)7-17-12-9(14)5-8(16)6-10(12)15/h5-6,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyZWZKKVVRFXQSBU-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
2-(2,6-dichloro-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 83078212
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
CID 82889170
3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83077990
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide (CID 83079465) is 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ZWZKKVVRFXQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O/c1-4-13(2,3)18-11(19)7-17-12-9(14)5-8(16)6-10(12)15/h5-6,17H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 307.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 83079465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).