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

C19H25FN2O2 — CID 135357607

IUPAC4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C19H25FN2O2/c20-17-6-15(18(23)22-24)1-2-16(17)10-21-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,21,24H,3-5,7-11H2,(H,22,23)
InChIKeyUPPFFXQRCNHIHA-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.25
Rot. Bonds5

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

4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 135357607) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID135357607
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C19H25FN2O2/c20-17-6-15(18(23)22-24)1-2-16(17)10-21-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,21,24H,3-5,7-11H2,(H,22,23)
InChIKeyUPPFFXQRCNHIHA-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.25
H-Bond Donors ≤ 53
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'}

Analyze 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide (CID 135357607) is 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1.
What is the InChIKey of 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is UPPFFXQRCNHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-17-6-15(18(23)22-24)1-2-16(17)10-21-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,21,24H,3-5,7-11H2,(H,22,23).
What are the key properties of 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide?
4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 332.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 135357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).