4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide

C20H27FN2O2 — CID 134812690

IUPAC4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCN(Cc1ccc(C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)
InChIKeyIGZQZELTOHAHNW-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.59
Rot. Bonds5

About 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide

4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 134812690) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID134812690
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCN(Cc1ccc(C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)
InChIKeyIGZQZELTOHAHNW-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide (CID 134812690) is 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide is CN(Cc1ccc(C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is IGZQZELTOHAHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24).
What are the key properties of 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide?
4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 134812690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).