1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide

C23H18FNO3 — CID 59206548

IUPAC1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2ccccc2)c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H18FNO3/c24-19-8-7-17(13-18(19)15-4-2-1-3-5-15)25-22(26)23(10-11-23)16-6-9-20-21(12-16)28-14-27-20/h1-9,12-13H,10-11,14H2,(H,25,26)
InChIKeyXQRXGSPRCDTSNC-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.89
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 59206548) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID59206548
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2ccccc2)c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H18FNO3/c24-19-8-7-17(13-18(19)15-4-2-1-3-5-15)25-22(26)23(10-11-23)16-6-9-20-21(12-16)28-14-27-20/h1-9,12-13H,10-11,14H2,(H,25,26)
InChIKeyXQRXGSPRCDTSNC-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.89
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-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide (CID 59206548) is 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(-c2ccccc2)c1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is XQRXGSPRCDTSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c24-19-8-7-17(13-18(19)15-4-2-1-3-5-15)25-22(26)23(10-11-23)16-6-9-20-21(12-16)28-14-27-20/h1-9,12-13H,10-11,14H2,(H,25,26).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.89, 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-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59206548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).