1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide

C24H22FNO3 — CID 71174436

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1=CC=C(c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)CC1
InChIInChI=1S/C24H22FNO3/c1-15-2-4-16(5-3-15)17-6-8-19(25)20(12-17)26-23(27)24(10-11-24)18-7-9-21-22(13-18)29-14-28-21/h2,4,6-9,12-13H,3,5,10-11,14H2,1H3,(H,26,27)
InChIKeyTVBDCKMWPBOBFA-UHFFFAOYSA-N
MW391.44 g/mol
LogP5.35
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71174436) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID71174436
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1=CC=C(c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)CC1
InChIInChI=1S/C24H22FNO3/c1-15-2-4-16(5-3-15)17-6-8-19(25)20(12-17)26-23(27)24(10-11-24)18-7-9-21-22(13-18)29-14-28-21/h2,4,6-9,12-13H,3,5,10-11,14H2,1H3,(H,26,27)
InChIKeyTVBDCKMWPBOBFA-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]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-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide (CID 71174436) is 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide is CC1=CC=C(c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is TVBDCKMWPBOBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-15-2-4-16(5-3-15)17-6-8-19(25)20(12-17)26-23(27)24(10-11-24)18-7-9-21-22(13-18)29-14-28-21/h2,4,6-9,12-13H,3,5,10-11,14H2,1H3,(H,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 5.35, 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-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).