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

C25H22FNO3 — CID 59206163

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C
InChIInChI=1S/C25H22FNO3/c1-15-3-6-18(26)12-20(15)21-13-19(7-4-16(21)2)27-24(28)25(9-10-25)17-5-8-22-23(11-17)30-14-29-22/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28)
InChIKeyAZPFYWUOBATSFW-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.51
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 59206163) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID59206163
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C
InChIInChI=1S/C25H22FNO3/c1-15-3-6-18(26)12-20(15)21-13-19(7-4-16(21)2)27-24(28)25(9-10-25)17-5-8-22-23(11-17)30-14-29-22/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28)
InChIKeyAZPFYWUOBATSFW-UHFFFAOYSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 669568
2-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 7770013
N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 876790
N-{4-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-furan-3-ylmethyl]-phenyl}-acetamide
CID 10576427
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide
CID 898678
2-(2H-1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)-N-[4-(propan-2-yl)phenyl]acetamide
CID 4134861
2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide
CID 4135044
2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-[4-(propan-2-yl)phenyl]acetamide
CID 4135049
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide (CID 59206163) is 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(F)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is AZPFYWUOBATSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-15-3-6-18(26)12-20(15)21-13-19(7-4-16(21)2)27-24(28)25(9-10-25)17-5-8-22-23(11-17)30-14-29-22/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.51, 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-(5-fluoro-2-methylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).