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

C11H13BrFNO — CID 4635921

IUPACN-(4-bromo-2-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-7(2)11(15)14-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNKTUPMHPHWJOQA-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.57
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-methylbutanamide (PubChem CID 4635921) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methylbutanamide
PubChem CID4635921
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-7(2)11(15)14-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNKTUPMHPHWJOQA-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

2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
methyl N-[2-fluoro-4-[[(2S)-2-methylbutanoyl]amino]phenyl]carbamate
CID 97350483
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
2-[(4-bromo-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182636

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylbutanamide (CID 4635921) is N-(4-bromo-2-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methylbutanamide?
The InChIKey is NKTUPMHPHWJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-3-7(2)11(15)14-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methylbutanamide?
N-(4-bromo-2-fluorophenyl)-2-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)-2-methylbutanamide is sourced from PubChem (CID 4635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).