1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C24H24FNO4 — CID 159189749

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(-c2ccccc2CO)ccc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C24H20FNO4.2H2/c25-19-7-5-15(18-4-2-1-3-16(18)13-27)11-20(19)26-23(28)24(9-10-24)17-6-8-21-22(12-17)30-14-29-21;;/h1-8,11-12,27H,9-10,13-14H2,(H,26,28);2*1H
InChIKeyKNXYORHUGJCNRM-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.88
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159189749) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159189749
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(-c2ccccc2CO)ccc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C24H20FNO4.2H2/c25-19-7-5-15(18-4-2-1-3-16(18)13-27)11-20(19)26-23(28)24(9-10-24)17-6-8-21-22(12-17)30-14-29-21;;/h1-8,11-12,27H,9-10,13-14H2,(H,26,28);2*1H
InChIKeyKNXYORHUGJCNRM-UHFFFAOYSA-N
XLogP4.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

CID 59206260
CID 59206260
CID 59206942
CID 59206942
N-[5-[4-(acetamidomethyl)phenyl]-2-fluoro-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158937440
1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-[4-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206232
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206486
1-(1,3-benzodioxol-5-yl)-N-[4-[2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206387
1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166240
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161083275
1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166281
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]benzoic acid
CID 59206490
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-[2-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]ethanone;molecular hydrogen
CID 158566223

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159189749) is 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1cc(-c2ccccc2CO)ccc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is KNXYORHUGJCNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4.2H2/c25-19-7-5-15(18-4-2-1-3-16(18)13-27)11-20(19)26-23(28)24(9-10-24)17-6-8-21-22(12-17)30-14-29-21;;/h1-8,11-12,27H,9-10,13-14H2,(H,26,28);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 409.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159189749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).