N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide

C12H16BrFN2O — CID 54917740

IUPACN-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-8(2)15-7-12(17)16-11-5-4-9(13)6-10(11)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyDRPXQBSQJHBJBP-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.91
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide (PubChem CID 54917740) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
PubChem CID54917740
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-8(2)15-7-12(17)16-11-5-4-9(13)6-10(11)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyDRPXQBSQJHBJBP-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466905
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
1-(4-bromo-2-fluorophenyl)-3-butan-2-ylthiourea
CID 132783890
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide (CID 54917740) is N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide?
The InChIKey is DRPXQBSQJHBJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-8(2)15-7-12(17)16-11-5-4-9(13)6-10(11)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide has a molecular weight of 303.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide is sourced from PubChem (CID 54917740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).