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3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide

C20H24FN3O3 — CID 86996508

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN3O3/c1-2-10-22-19(26)16-5-3-4-14(11-16)12-23-20(27)24-13-18(25)15-6-8-17(21)9-7-15/h3-9,11,18,25H,2,10,12-13H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyILDJBEZZOPTLGA-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.50
Rot. Bonds8

About 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide

3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide (PubChem CID 86996508) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
PubChem CID86996508
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN3O3/c1-2-10-22-19(26)16-5-3-4-14(11-16)12-23-20(27)24-13-18(25)15-6-8-17(21)9-7-15/h3-9,11,18,25H,2,10,12-13H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyILDJBEZZOPTLGA-UHFFFAOYSA-N
XLogP2.50
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide (CID 86996508) is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide?
The InChIKey is ILDJBEZZOPTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-10-22-19(26)16-5-3-4-14(11-16)12-23-20(27)24-13-18(25)15-6-8-17(21)9-7-15/h3-9,11,18,25H,2,10,12-13H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide?
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide has a molecular weight of 373.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide is sourced from PubChem (CID 86996508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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