N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide

C14H10FNO3 — CID 740876

IUPACN-(1,3-benzodioxol-5-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1
InChIInChI=1S/C14H10FNO3/c15-10-3-1-2-9(6-10)14(17)16-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyBHGTWWPQQDXYSJ-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.81
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide

N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide (PubChem CID 740876) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-fluorobenzamide
PubChem CID740876
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1
InChIInChI=1S/C14H10FNO3/c15-10-3-1-2-9(6-10)14(17)16-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyBHGTWWPQQDXYSJ-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
P-Tolu-M-anisidide
CID 3977580
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
6-(2-Fluorophenyl)-1,3-dioxolo(4,5-g)quinolin-8(5H)-one
CID 375860
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
CID 652596

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide (CID 740876) is N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The InChIKey is BHGTWWPQQDXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-10-3-1-2-9(6-10)14(17)16-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide?
N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide has a molecular weight of 259.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 740876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).