3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide

C10H12BrFN2O2 — CID 106171977

IUPAC3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O2/c11-7-3-6(1-2-8(7)12)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyVDHYPBKAIPHDSZ-UHFFFAOYSA-N
MW291.12 g/mol
LogP0.52
Rot. Bonds5

About 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide

3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106171977) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
PubChem CID106171977
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O2/c11-7-3-6(1-2-8(7)12)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyVDHYPBKAIPHDSZ-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-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
(3-bromo-4-fluorophenyl)methylurea
CID 131036089
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
2-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124785
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
methyl (2S)-2-[(3-bromo-4-fluorophenyl)methylamino]propanoate
CID 43723685
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide (CID 106171977) is 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccc(F)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is VDHYPBKAIPHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c11-7-3-6(1-2-8(7)12)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-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide?
3-[(3-bromo-4-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-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).