N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide

C19H18FNO4 — CID 110298086

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18FNO4/c20-15-7-5-14(6-8-15)16(22)2-1-3-19(23)21-11-13-4-9-17-18(10-13)25-12-24-17/h4-10H,1-3,11-12H2,(H,21,23)
InChIKeyAUPCZJQBFCGLRD-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.22
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110298086) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110298086
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18FNO4/c20-15-7-5-14(6-8-15)16(22)2-1-3-19(23)21-11-13-4-9-17-18(10-13)25-12-24-17/h4-10H,1-3,11-12H2,(H,21,23)
InChIKeyAUPCZJQBFCGLRD-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanamide
CID 110344538
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
N-[4-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166205185
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113121090
N-(1,3-benzodioxol-5-ylmethyl)-6-[1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 46246490
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide (CID 110298086) is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is AUPCZJQBFCGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-15-7-5-14(6-8-15)16(22)2-1-3-19(23)21-11-13-4-9-17-18(10-13)25-12-24-17/h4-10H,1-3,11-12H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 343.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110298086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).