3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide

C15H15FN2O3 — CID 123879577

IUPAC3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)NO)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O3/c16-13-3-1-2-12(8-13)14(19)17-9-10-4-6-11(7-5-10)15(20)18-21/h1-8,15,18,20-21H,9H2,(H,17,19)
InChIKeySAMDXMGRHRGUJW-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.73
Rot. Bonds5

About 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide

3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide (PubChem CID 123879577) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
PubChem CID123879577
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)NO)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O3/c16-13-3-1-2-12(8-13)14(19)17-9-10-4-6-11(7-5-10)15(20)18-21/h1-8,15,18,20-21H,9H2,(H,17,19)
InChIKeySAMDXMGRHRGUJW-UHFFFAOYSA-N
XLogP1.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-fluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787057
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-fluoro-N-hydroxybenzamide
CID 5082377

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide (CID 123879577) is 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(C(O)NO)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide?
The InChIKey is SAMDXMGRHRGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-13-3-1-2-12(8-13)14(19)17-9-10-4-6-11(7-5-10)15(20)18-21/h1-8,15,18,20-21H,9H2,(H,17,19).
What are the key properties of 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide?
3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide has a molecular weight of 290.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 123879577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).