N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide

C15H11FN2O2 — CID 43369387

IUPACN-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
SMILESN#CCOc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-12-5-3-4-11(10-12)15(19)18-13-6-1-2-7-14(13)20-9-8-17/h1-7,10H,9H2,(H,18,19)
InChIKeyPLSOXOYOVSRRQL-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide

N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide (PubChem CID 43369387) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
PubChem CID43369387
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
SMILESN#CCOc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-12-5-3-4-11(10-12)15(19)18-13-6-1-2-7-14(13)20-9-8-17/h1-7,10H,9H2,(H,18,19)
InChIKeyPLSOXOYOVSRRQL-UHFFFAOYSA-N
XLogP2.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide (CID 43369387) is N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide is N#CCOc1ccccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide?
The InChIKey is PLSOXOYOVSRRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-5-3-4-11(10-12)15(19)18-13-6-1-2-7-14(13)20-9-8-17/h1-7,10H,9H2,(H,18,19).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide?
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide has a molecular weight of 270.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 43369387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).