2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C19H19FN2O4 — CID 113162169

IUPAC2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-13(23)22(10-15-4-2-3-5-16(15)20)11-19(24)21-9-14-6-7-17-18(8-14)26-12-25-17/h2-8H,9-12H2,1H3,(H,21,24)
InChIKeyUXDBDBCLQVPZEA-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.22
Rot. Bonds6

About 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (PubChem CID 113162169) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
PubChem CID113162169
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-13(23)22(10-15-4-2-3-5-16(15)20)11-19(24)21-9-14-6-7-17-18(8-14)26-12-25-17/h2-8H,9-12H2,1H3,(H,21,24)
InChIKeyUXDBDBCLQVPZEA-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120936
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161585
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 78786604
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113163228
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
CID 17436002
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135882
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CID 113162169) is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1F.
What is the InChIKey of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The InChIKey is UXDBDBCLQVPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13(23)22(10-15-4-2-3-5-16(15)20)11-19(24)21-9-14-6-7-17-18(8-14)26-12-25-17/h2-8H,9-12H2,1H3,(H,21,24).
What are the key properties of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is sourced from PubChem (CID 113162169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).