N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide

C17H14FN3O3 — CID 58653948

IUPACN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(F)c2)c(OCC(N)=O)c1
InChIInChI=1S/C17H14FN3O3/c18-14-3-1-2-12(7-14)17(23)21-9-13-5-4-11(8-19)6-15(13)24-10-16(20)22/h1-7H,9-10H2,(H2,20,22)(H,21,23)
InChIKeyQNFOBIXSGKWDME-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.49
Rot. Bonds6

About N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide

N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide (PubChem CID 58653948) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
PubChem CID58653948
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(F)c2)c(OCC(N)=O)c1
InChIInChI=1S/C17H14FN3O3/c18-14-3-1-2-12(7-14)17(23)21-9-13-5-4-11(8-19)6-15(13)24-10-16(20)22/h1-7H,9-10H2,(H2,20,22)(H,21,23)
InChIKeyQNFOBIXSGKWDME-UHFFFAOYSA-N
XLogP1.49
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide (CID 58653948) is N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide is N#Cc1ccc(CNC(=O)c2cccc(F)c2)c(OCC(N)=O)c1.
What is the InChIKey of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide?
The InChIKey is QNFOBIXSGKWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-14-3-1-2-12(7-14)17(23)21-9-13-5-4-11(8-19)6-15(13)24-10-16(20)22/h1-7H,9-10H2,(H2,20,22)(H,21,23).
What are the key properties of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide?
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide has a molecular weight of 327.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 58653948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).