3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide

C17H15BrF2N2O2 — CID 113128648

IUPAC3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyWDLIVALEFGTLCI-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.11
Rot. Bonds5

About 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide

3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113128648) has the molecular formula C17H15BrF2N2O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113128648
Molecular FormulaC17H15BrF2N2O2
Molecular Weight397.22 g/mol
Exact Mass396.03
IUPAC Name3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyWDLIVALEFGTLCI-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide (CID 113128648) is 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is WDLIVALEFGTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 397.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113128648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).