3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide

C15H13BrF2N2O — CID 62877990

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H13BrF2N2O/c16-12-6-10(17)7-13(18)14(12)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21)
InChIKeyXTXXTOSDZZPFNH-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.41
Rot. Bonds4

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide (PubChem CID 62877990) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
PubChem CID62877990
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H13BrF2N2O/c16-12-6-10(17)7-13(18)14(12)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21)
InChIKeyXTXXTOSDZZPFNH-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
CID 107611897
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
CID 79766780
4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322
(2S)-2-amino-N-(2-bromo-4,6-difluorophenyl)-4-methylsulfanylbutanamide
CID 61149337
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide (CID 62877990) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide is NCC(C(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide?
The InChIKey is XTXXTOSDZZPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-12-6-10(17)7-13(18)14(12)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide has a molecular weight of 355.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 62877990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).