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

C11H13BrFN5O — CID 82967722

IUPAC2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
SMILESCC(NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFN5O/c1-11(10(14)19,16-4-5-17-18-15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H2,14,19)
InChIKeyCDRGLFQKWDYCAG-UHFFFAOYSA-N
MW330.16 g/mol
LogP2.19
Rot. Bonds6

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

2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide (PubChem CID 82967722) has the molecular formula C11H13BrFN5O and a molecular weight of 330.16 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
PubChem CID82967722
Molecular FormulaC11H13BrFN5O
Molecular Weight330.16 g/mol
Exact Mass329.03
IUPAC Name2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
SMILESCC(NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFN5O/c1-11(10(14)19,16-4-5-17-18-15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H2,14,19)
InChIKeyCDRGLFQKWDYCAG-UHFFFAOYSA-N
XLogP2.19
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82967414
2-(2-azidoethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 66190200
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
CID 66191641
2-(4-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 82954183
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
CID 82953788
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813
2-(2-azidoethylamino)-2-(2-bromophenyl)propanoic acid
CID 66189213
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
CID 61219784
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol
CID 123611548
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide?
The IUPAC name of 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide (CID 82967722) is 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide is CC(NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide?
The InChIKey is CDRGLFQKWDYCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN5O/c1-11(10(14)19,16-4-5-17-18-15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H2,14,19).
What are the key properties of 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide?
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide has a molecular weight of 330.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide is sourced from PubChem (CID 82967722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).