2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

C20H23FN2O3 — CID 55869935

IUPAC2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(2)26-13-16-9-7-15(8-10-16)11-22-19(24)12-23-20(25)17-5-3-4-6-18(17)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCGVJQQFSAHTSRH-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.80
Rot. Bonds8

About 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 55869935) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID55869935
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(2)26-13-16-9-7-15(8-10-16)11-22-19(24)12-23-20(25)17-5-3-4-6-18(17)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCGVJQQFSAHTSRH-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 47058348
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
CID 55978653

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (CID 55869935) is 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is CC(C)OCc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is CGVJQQFSAHTSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(2)26-13-16-9-7-15(8-10-16)11-22-19(24)12-23-20(25)17-5-3-4-6-18(17)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 55869935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).