1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide

C24H20FNO3 — CID 59206001

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO3/c1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21/h2-9,12-13H,10-11,14H2,1H3,(H,26,27)
InChIKeyAPRFNVWYKZVNAT-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.20
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 59206001) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID59206001
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO3/c1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21/h2-9,12-13H,10-11,14H2,1H3,(H,26,27)
InChIKeyAPRFNVWYKZVNAT-UHFFFAOYSA-N
XLogP5.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide (CID 59206001) is 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is APRFNVWYKZVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21/h2-9,12-13H,10-11,14H2,1H3,(H,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).