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

C9H9BrFNO — CID 28938564

IUPACN-(2-bromo-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-2-9(13)12-8-4-3-6(11)5-7(8)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeySKMIPAILPYHKLP-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.94
Rot. Bonds2

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

N-(2-bromo-4-fluorophenyl)propanamide (PubChem CID 28938564) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)propanamide
PubChem CID28938564
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-(2-bromo-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-2-9(13)12-8-4-3-6(11)5-7(8)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeySKMIPAILPYHKLP-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
N-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
(2S,3S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61194242
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)propanamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)propanamide (CID 28938564) is N-(2-bromo-4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)propanamide is CCC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)propanamide?
The InChIKey is SKMIPAILPYHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-2-9(13)12-8-4-3-6(11)5-7(8)10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(2-bromo-4-fluorophenyl)propanamide?
N-(2-bromo-4-fluorophenyl)propanamide has a molecular weight of 246.08 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)propanamide is sourced from PubChem (CID 28938564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).