3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide

C14H11FN2O4 — CID 78953369

IUPAC3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H11FN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-2-9(4-12)8-18/h1-7,18H,8H2,(H,16,19)
InChIKeyGXFJCPSSMOHEPM-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.48
Rot. Bonds4

About 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide

3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide (PubChem CID 78953369) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
PubChem CID78953369
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H11FN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-2-9(4-12)8-18/h1-7,18H,8H2,(H,16,19)
InChIKeyGXFJCPSSMOHEPM-UHFFFAOYSA-N
XLogP2.48
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033
N-[3-(hydroxymethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 60629918
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
CID 78953284
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide (CID 78953369) is 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide is O=C(Nc1cccc(CO)c1)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide?
The InChIKey is GXFJCPSSMOHEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-2-9(4-12)8-18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide?
3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 78953369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).