2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide

C11H14ClFN2O2 — CID 115179929

IUPAC2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCc1cc(Cl)c(CNC(=O)C(N)CO)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-6-2-8(12)7(3-9(6)13)4-15-11(17)10(14)5-16/h2-3,10,16H,4-5,14H2,1H3,(H,15,17)
InChIKeyAZJSYIFUKLABAS-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide

2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 115179929) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
PubChem CID115179929
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCc1cc(Cl)c(CNC(=O)C(N)CO)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-6-2-8(12)7(3-9(6)13)4-15-11(17)10(14)5-16/h2-3,10,16H,4-5,14H2,1H3,(H,15,17)
InChIKeyAZJSYIFUKLABAS-UHFFFAOYSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
CID 115140743
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163441
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
methyl 2-amino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116851552
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]propane-1,2-diol
CID 115122159
2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115179916
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
(2S)-2-amino-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 110482526

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide (CID 115179929) is 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide is Cc1cc(Cl)c(CNC(=O)C(N)CO)cc1F.
What is the InChIKey of 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is AZJSYIFUKLABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-6-2-8(12)7(3-9(6)13)4-15-11(17)10(14)5-16/h2-3,10,16H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide?
2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 260.70 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).