3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide

C11H11Cl3FNO — CID 83079158

IUPAC3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H11Cl3FNO/c1-11(2,5-12)10(17)16-9-7(13)3-6(15)4-8(9)14/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyFCDUASFXIKAJLR-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide

3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 83079158) has the molecular formula C11H11Cl3FNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID83079158
Molecular FormulaC11H11Cl3FNO
Molecular Weight298.57 g/mol
Exact Mass296.99
IUPAC Name3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H11Cl3FNO/c1-11(2,5-12)10(17)16-9-7(13)3-6(15)4-8(9)14/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyFCDUASFXIKAJLR-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(2,6-dichloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605640
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83077990
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide (CID 83079158) is 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is FCDUASFXIKAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3FNO/c1-11(2,5-12)10(17)16-9-7(13)3-6(15)4-8(9)14/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 298.57 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 83079158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).