3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide

C23H20FN3O4 — CID 55947735

IUPAC3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H20FN3O4/c24-18-7-2-6-17(11-18)23(30)27-19-8-1-4-15(10-19)13-26-21(28)14-31-20-9-3-5-16(12-20)22(25)29/h1-12H,13-14H2,(H2,25,29)(H,26,28)(H,27,30)
InChIKeyNQHALSRXFVRAMW-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.87
Rot. Bonds8

About 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide

3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide (PubChem CID 55947735) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
PubChem CID55947735
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H20FN3O4/c24-18-7-2-6-17(11-18)23(30)27-19-8-1-4-15(10-19)13-26-21(28)14-31-20-9-3-5-16(12-20)22(25)29/h1-12H,13-14H2,(H2,25,29)(H,26,28)(H,27,30)
InChIKeyNQHALSRXFVRAMW-UHFFFAOYSA-N
XLogP2.87
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
1-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]indole-3-carboxamide
CID 154858606
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
N-[3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 47063751
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide (CID 55947735) is 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1.
What is the InChIKey of 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide?
The InChIKey is NQHALSRXFVRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-18-7-2-6-17(11-18)23(30)27-19-8-1-4-15(10-19)13-26-21(28)14-31-20-9-3-5-16(12-20)22(25)29/h1-12H,13-14H2,(H2,25,29)(H,26,28)(H,27,30).
What are the key properties of 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide?
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide has a molecular weight of 421.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55947735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).