2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide

C12H16BrFN2O2 — CID 51252744

IUPAC2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyANJHLNCAEBSQJN-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.15
Rot. Bonds6

About 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 51252744) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID51252744
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyANJHLNCAEBSQJN-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 51252744) is 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ANJHLNCAEBSQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 319.17 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 51252744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).