3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide

C18H16FNO2 — CID 155598518

IUPAC3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1cc(F)cc(Cc2ccccccccc2)c1
InChIInChI=1S/C18H16FNO2/c19-17-12-15(11-16(13-17)18(21)20-22)10-14-8-6-4-2-1-3-5-7-9-14/h1-9,11-13,22H,10H2,(H,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,14-8+,14-9+
InChIKeyOAXPLSMXZKSBAC-VAENZKFOSA-N
MW297.33 g/mol
LogP3.66
Rot. Bonds3

About 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide

3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide (PubChem CID 155598518) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide
PubChem CID155598518
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1cc(F)cc(Cc2ccccccccc2)c1
InChIInChI=1S/C18H16FNO2/c19-17-12-15(11-16(13-17)18(21)20-22)10-14-8-6-4-2-1-3-5-7-9-14/h1-9,11-13,22H,10H2,(H,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,14-8+,14-9+
InChIKeyOAXPLSMXZKSBAC-VAENZKFOSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

3-fluoro-N-hydroxybenzamide
CID 5082377
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
N-hydroxybenzamide;nickel
CID 88846751
2-benzyl-N-hydroxy-1H-indole-6-carboxamide
CID 87783085
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide
CID 87720226
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
calcium;hydride;N-hydroxybenzamide
CID 175061214
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
benzylbenzene;phosphoric acid
CID 161249494
4-[[3-fluoro-5-(methylcarbamoyl)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 172582168

Frequently Asked Questions

What is the IUPAC name of 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide?
The IUPAC name of 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide (CID 155598518) is 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide?
The canonical SMILES for 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide is O=C(NO)c1cc(F)cc(Cc2ccccccccc2)c1.
What is the InChIKey of 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide?
The InChIKey is OAXPLSMXZKSBAC-VAENZKFOSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-17-12-15(11-16(13-17)18(21)20-22)10-14-8-6-4-2-1-3-5-7-9-14/h1-9,11-13,22H,10H2,(H,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,14-8+,14-9+.
What are the key properties of 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide?
3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide has a molecular weight of 297.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 155598518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).