N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide

C18H19FN2O3 — CID 78900659

IUPACN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCOc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-2-24-16-8-3-5-13(9-16)11-20-17(22)12-21-18(23)14-6-4-7-15(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQOVUTVSJGFUDFB-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78900659) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78900659
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCOc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-2-24-16-8-3-5-13(9-16)11-20-17(22)12-21-18(23)14-6-4-7-15(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQOVUTVSJGFUDFB-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55844167
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
CID 30293608
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide (CID 78900659) is N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide is CCOc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is QOVUTVSJGFUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-24-16-8-3-5-13(9-16)11-20-17(22)12-21-18(23)14-6-4-7-15(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78900659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).