2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

C24H22F2N2O4 — CID 57388342

IUPAC2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(COc3ccc(F)cc3)CC2C(=O)Nc2ccc(F)cn2)cc1OC
InChIInChI=1S/C24H22F2N2O4/c1-30-20-9-3-15(11-21(20)31-2)24(14-32-18-7-4-16(25)5-8-18)12-19(24)23(29)28-22-10-6-17(26)13-27-22/h3-11,13,19H,12,14H2,1-2H3,(H,27,28,29)
InChIKeyXTRYLHHQBOWVQO-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.35
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 57388342) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID57388342
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(COc3ccc(F)cc3)CC2C(=O)Nc2ccc(F)cn2)cc1OC
InChIInChI=1S/C24H22F2N2O4/c1-30-20-9-3-15(11-21(20)31-2)24(14-32-18-7-4-16(25)5-8-18)12-19(24)23(29)28-22-10-6-17(26)13-27-22/h3-11,13,19H,12,14H2,1-2H3,(H,27,28,29)
InChIKeyXTRYLHHQBOWVQO-UHFFFAOYSA-N
XLogP4.35
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (CID 57388342) is 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is COc1ccc(C2(COc3ccc(F)cc3)CC2C(=O)Nc2ccc(F)cn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is XTRYLHHQBOWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-30-20-9-3-15(11-21(20)31-2)24(14-32-18-7-4-16(25)5-8-18)12-19(24)23(29)28-22-10-6-17(26)13-27-22/h3-11,13,19H,12,14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 57388342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).