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

C24H19F2NO3 — CID 59206231

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F2NO3/c1-14-2-5-17(12-18(14)15-3-6-19(25)20(26)10-15)27-23(28)24(8-9-24)16-4-7-21-22(11-16)30-13-29-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,28)
InChIKeyRLWYGQHIXCSQMO-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.34
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 59206231) has the molecular formula C24H19F2NO3 and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID59206231
Molecular FormulaC24H19F2NO3
Molecular Weight407.42 g/mol
Exact Mass407.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F2NO3/c1-14-2-5-17(12-18(14)15-3-6-19(25)20(26)10-15)27-23(28)24(8-9-24)16-4-7-21-22(11-16)30-13-29-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,28)
InChIKeyRLWYGQHIXCSQMO-UHFFFAOYSA-N
XLogP5.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 7770013
N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 673500
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide
CID 898678
2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide
CID 4135044
N-[3-((Z)-2-Benzo[1,3]dioxol-5-yl-2-cyano-vinyl)-4-methyl-phenyl]-3-cyclohexyl-propionamide
CID 10525967
(R)-N-(4-(5-(benzo[d][1,3]dioxol-5-yl)-3-oxocyclohex-1-enyl)phenyl)acetamide
CID 42628193
potassium (Z)-3-[(4-acetamidophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 44266881
N-[4-[[1,3-benzodioxol-5-ylmethyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]acetamide
CID 44534458
2-(1,3-benzodioxol-5-yl)-N-[[4-tert-butyl-2-(4-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 156011765
2-(1,3-benzodioxol-5-yl)-N-[[4-tert-butyl-2-(4-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 156015075
4-[[1-(1,3-benzodioxol-5-yl)cyclohexanecarbonyl]amino]-N-hydroxybenzamide
CID 156016657
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 156020501

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide (CID 59206231) is 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is RLWYGQHIXCSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO3/c1-14-2-5-17(12-18(14)15-3-6-19(25)20(26)10-15)27-23(28)24(8-9-24)16-4-7-21-22(11-16)30-13-29-21/h2-7,10-12H,8-9,13H2,1H3,(H,27,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 5.34, 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-(3,4-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).