[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate

C19H19ClFNO3 — CID 2364527

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-13(2)22(11-14-6-4-3-5-7-14)18(23)12-25-19(24)16-9-8-15(21)10-17(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyZVIJBPNUURMXFG-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.07
Rot. Bonds6

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2364527) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2364527
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-13(2)22(11-14-6-4-3-5-7-14)18(23)12-25-19(24)16-9-8-15(21)10-17(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyZVIJBPNUURMXFG-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2364527) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is ZVIJBPNUURMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-13(2)22(11-14-6-4-3-5-7-14)18(23)12-25-19(24)16-9-8-15(21)10-17(16)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 363.82 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2364527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).