3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide

C11H14BrFN2O — CID 155203805

IUPAC3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)6-15-9-4-3-7(12)5-8(9)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyKXZHCYHENVVPKA-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide

3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide (PubChem CID 155203805) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide
PubChem CID155203805
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)6-15-9-4-3-7(12)5-8(9)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyKXZHCYHENVVPKA-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 7683
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CID 532095
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CID 520094
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CID 532135
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CID 871334
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CID 2804166
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CID 68839
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CID 688184
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CID 9549367
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CID 660492
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CID 11165133
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CID 11281076
CID 11281076

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide (CID 155203805) is 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide is CC(C)(CNc1ccc(Br)cc1F)C(N)=O.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide?
The InChIKey is KXZHCYHENVVPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)6-15-9-4-3-7(12)5-8(9)13/h3-5,15H,6H2,1-2H3,(H2,14,16).
What are the key properties of 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide?
3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)-2,2-dimethylpropanamide is sourced from PubChem (CID 155203805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).