N-(4-bromo-2-fluorophenyl)-3-methylbutanamide

C11H13BrFNO — CID 849082

IUPACN-(4-bromo-2-fluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyQHJKNWGFTYWXFU-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.57
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-methylbutanamide

N-(4-bromo-2-fluorophenyl)-3-methylbutanamide (PubChem CID 849082) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-methylbutanamide
PubChem CID849082
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyQHJKNWGFTYWXFU-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
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3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138250
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(4-bromo-2-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244444
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methylbutanamide (CID 849082) is N-(4-bromo-2-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-methylbutanamide?
The InChIKey is QHJKNWGFTYWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-methylbutanamide?
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide has a molecular weight of 274.13 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 849082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).