3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide

C10H12BrFN2O2 — CID 106170380

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2/c11-7-1-2-8(12)6(3-7)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyVKEGQFDBYTXTGA-UHFFFAOYSA-N
MW291.12 g/mol
LogP0.52
Rot. Bonds5

About 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide

3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106170380) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
PubChem CID106170380
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2/c11-7-1-2-8(12)6(3-7)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyVKEGQFDBYTXTGA-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(5-bromo-2-fluorophenyl)methylamino]butanoic acid
CID 115241706
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106172166
1-[(5-bromo-2-fluorophenyl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989579
N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 65037198
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
CID 106171817
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide (CID 106170380) is 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is VKEGQFDBYTXTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c11-7-1-2-8(12)6(3-7)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 291.12 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106170380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).