2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide

C19H20F2N4O3 — CID 55978653

IUPAC2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C19H20F2N4O3/c20-14-7-5-13(6-8-14)11-24-19(28)25-12-17(26)22-9-10-23-18(27)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyGVEGIRNODVEPRN-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.31
Rot. Bonds8

About 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide

2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide (PubChem CID 55978653) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
PubChem CID55978653
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C19H20F2N4O3/c20-14-7-5-13(6-8-14)11-24-19(28)25-12-17(26)22-9-10-23-18(27)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyGVEGIRNODVEPRN-UHFFFAOYSA-N
XLogP1.31
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 86828516
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide (CID 55978653) is 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide is O=C(CNC(=O)NCc1ccc(F)cc1)NCCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide?
The InChIKey is GVEGIRNODVEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c20-14-7-5-13(6-8-14)11-24-19(28)25-12-17(26)22-9-10-23-18(27)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide?
2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide has a molecular weight of 390.39 g/mol, XLogP of 1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).