3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide

C17H15BrF2N2O2 — CID 113132672

IUPAC3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyCQGCVAYJRNCRGL-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.11
Rot. Bonds5

About 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide

3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide (PubChem CID 113132672) has the molecular formula C17H15BrF2N2O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
PubChem CID113132672
Molecular FormulaC17H15BrF2N2O2
Molecular Weight397.22 g/mol
Exact Mass396.03
IUPAC Name3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyCQGCVAYJRNCRGL-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-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
ethyl 4-[acetyl-[3-(2,4-difluoroanilino)-3-oxopropyl]amino]benzoate
CID 113133381
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide (CID 113132672) is 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1cccc(Br)c1.
What is the InChIKey of 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is CQGCVAYJRNCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-16-6-5-13(19)10-15(16)20/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide?
3-(N-acetyl-3-bromoanilino)-N-(2,4-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-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113132672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).