4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide

C20H27FN2O2 — CID 153453877

IUPAC4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCCC23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C20H27FN2O2/c21-18-8-16(19(24)23-25)1-2-17(18)12-22-4-3-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15,22,25H,3-7,9-12H2,(H,23,24)
InChIKeyZNANWJDEGWMCSP-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.64
Rot. Bonds6

About 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide

4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 153453877) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID153453877
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCCC23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C20H27FN2O2/c21-18-8-16(19(24)23-25)1-2-17(18)12-22-4-3-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15,22,25H,3-7,9-12H2,(H,23,24)
InChIKeyZNANWJDEGWMCSP-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
CID 135357607
1-adamantylmethanamine;methyl 4-[(1-adamantylmethylamino)methyl]-3-fluorobenzoate;methyl 4-(bromomethyl)-3-fluorobenzoate
CID 160859198
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
methyl 4-[(1-adamantylamino)methyl]-3-fluorobenzoate
CID 134584699
2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 103805242
methyl 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluorobenzoate
CID 153453882
methyl 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluorobenzoate
CID 135357616
(3S)-2-(1-adamantylmethyl)-3-ethyl-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171594380
4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 159228203
methyl 4-[(1-adamantylmethylamino)methyl]-3-bromobenzoate
CID 146371286
4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide
CID 155598336
2-(1-adamantylmethyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598270

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide (CID 153453877) is 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(CNCCC23CC4CC(CC(C4)C2)C3)c(F)c1.
What is the InChIKey of 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is ZNANWJDEGWMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-8-16(19(24)23-25)1-2-17(18)12-22-4-3-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15,22,25H,3-7,9-12H2,(H,23,24).
What are the key properties of 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide?
4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 153453877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).