1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide

C25H20FN5O3 — CID 59206334

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C25H20FN5O3/c1-14-2-5-17(12-19(14)18-6-3-15(10-20(18)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31)
InChIKeyUWYBCOAIJYKCHB-UHFFFAOYSA-N
MW457.47 g/mol
LogP4.38
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 59206334) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID59206334
Molecular FormulaC25H20FN5O3
Molecular Weight457.47 g/mol
Exact Mass457.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C25H20FN5O3/c1-14-2-5-17(12-19(14)18-6-3-15(10-20(18)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31)
InChIKeyUWYBCOAIJYKCHB-UHFFFAOYSA-N
XLogP4.38
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide (CID 59206334) is 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is UWYBCOAIJYKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c1-14-2-5-17(12-19(14)18-6-3-15(10-20(18)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).