2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide

C12H14BrFN2O — CID 43088710

IUPAC2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Br)cc1F)C(=O)NC1CC1
InChIInChI=1S/C12H14BrFN2O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyQCMZUWDJZXYBQV-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide

2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide (PubChem CID 43088710) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
PubChem CID43088710
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Br)cc1F)C(=O)NC1CC1
InChIInChI=1S/C12H14BrFN2O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyQCMZUWDJZXYBQV-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide (CID 43088710) is 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide is CC(Nc1ccc(Br)cc1F)C(=O)NC1CC1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide?
The InChIKey is QCMZUWDJZXYBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide?
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide has a molecular weight of 301.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 43088710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).