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

C10H12ClFN2O2 — CID 106171926

IUPAC3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O2/c11-7-2-1-6(8(12)3-7)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyZWUAZVPUJPMFIN-UHFFFAOYSA-N
MW246.67 g/mol
LogP0.41
Rot. Bonds5

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

3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106171926) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
PubChem CID106171926
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O2/c11-7-2-1-6(8(12)3-7)4-14-5-9(15)10(13)16/h1-3,9,14-15H,4-5H2,(H2,13,16)
InChIKeyZWUAZVPUJPMFIN-UHFFFAOYSA-N
XLogP0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106172166
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
2-chloro-N-[(4-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 114859402
methyl (2S)-2-[(4-chloro-2-fluorophenyl)methylamino]propanoate
CID 104979957
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide (CID 106171926) is 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is ZWUAZVPUJPMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c11-7-2-1-6(8(12)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-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide?
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 246.67 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).