chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine

C18H23ClF2N2O7 — CID 161442585

IUPACchloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine
SMILESCCl.CNO.CON(C)C(=O)c1cc(O)ccc1F.O=C(O)c1cc(O)ccc1F
InChIInChI=1S/C9H10FNO3.C7H5FO3.CH3Cl.CH5NO/c1-11(14-2)9(13)7-5-6(12)3-4-8(7)10;8-6-2-1-4(9)3-5(6)7(10)11;1-2;1-2-3/h3-5,12H,1-2H3;1-3,9H,(H,10,11);1H3;2-3H,1H3
InChIKeyVZLYQEJJCBRLRT-UHFFFAOYSA-N
MW452.84 g/mol
LogP2.84
Rot. Bonds3

About chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine

chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine (PubChem CID 161442585) has the molecular formula C18H23ClF2N2O7 and a molecular weight of 452.84 g/mol. Its IUPAC name is chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine.

Molecular Properties

Compound Namechloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine
PubChem CID161442585
Molecular FormulaC18H23ClF2N2O7
Molecular Weight452.84 g/mol
Exact Mass452.12
IUPAC Namechloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine
SMILESCCl.CNO.CON(C)C(=O)c1cc(O)ccc1F.O=C(O)c1cc(O)ccc1F
InChIInChI=1S/C9H10FNO3.C7H5FO3.CH3Cl.CH5NO/c1-11(14-2)9(13)7-5-6(12)3-4-8(7)10;8-6-2-1-4(9)3-5(6)7(10)11;1-2;1-2-3/h3-5,12H,1-2H3;1-3,9H,(H,10,11);1H3;2-3H,1H3
InChIKeyVZLYQEJJCBRLRT-UHFFFAOYSA-N
XLogP2.84
TPSA139.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.84
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine?
The IUPAC name of chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine (CID 161442585) is chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine.
What is the SMILES notation for chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine?
The canonical SMILES for chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine is CCl.CNO.CON(C)C(=O)c1cc(O)ccc1F.O=C(O)c1cc(O)ccc1F.
What is the InChIKey of chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine?
The InChIKey is VZLYQEJJCBRLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3.C7H5FO3.CH3Cl.CH5NO/c1-11(14-2)9(13)7-5-6(12)3-4-8(7)10;8-6-2-1-4(9)3-5(6)7(10)11;1-2;1-2-3/h3-5,12H,1-2H3;1-3,9H,(H,10,11);1H3;2-3H,1H3.
What are the key properties of chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine?
chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine has a molecular weight of 452.84 g/mol, XLogP of 2.84, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine is sourced from PubChem (CID 161442585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).