N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C19H18FNO3 — CID 110606616

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO3/c20-15-4-2-1-3-14(15)19(8-9-19)18(22)21-10-7-13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2,(H,21,22)
InChIKeyKYEPMQNQBPUFOS-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110606616) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110606616
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO3/c20-15-4-2-1-3-14(15)19(8-9-19)18(22)21-10-7-13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2,(H,21,22)
InChIKeyKYEPMQNQBPUFOS-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-bromo-2-fluorobenzamide
CID 18117976
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111362476
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
CID 11774905
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 110606616) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KYEPMQNQBPUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-15-4-2-1-3-14(15)19(8-9-19)18(22)21-10-7-13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2,(H,21,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110606616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).