2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid

C9H9ClFNO2 — CID 102616791

IUPAC2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C9H9ClFNO2/c10-8-2-1-7(11)3-6(8)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyYOVUURBEPVDHDF-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid

2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid (PubChem CID 102616791) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
PubChem CID102616791
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C9H9ClFNO2/c10-8-2-1-7(11)3-6(8)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyYOVUURBEPVDHDF-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
3-[(2-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 102616813
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
2-[(2,3,5-trifluorophenyl)methylamino]acetic acid
CID 69099257
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 102616862
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
CID 107851583

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid (CID 102616791) is 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid is O=C(O)CNCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid?
The InChIKey is YOVUURBEPVDHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-8-2-1-7(11)3-6(8)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid?
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid has a molecular weight of 217.63 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 102616791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).