1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone

C154H132FN5O11 — CID 161270016

IUPAC1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone
SMILESCOC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.COc1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccc(F)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccccn1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccnc1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccncc1.O=C(NCc1ccncc1)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H24N2O2.C23H20O3.C22H20O2.C21H17FO.3C20H17NO/c31-27(15-20-8-9-21-4-1-2-5-22(21)14-20)26-17-25(26)23-6-3-7-24(16-23)28(32)30-18-19-10-12-29-13-11-19;1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15;1-24-19-8-4-7-18(13-19)20-14-21(20)22(23)12-15-9-10-16-5-2-3-6-17(16)11-15;22-18-7-3-6-17(12-18)19-13-20(19)21(23)11-14-8-9-15-4-1-2-5-16(15)10-14;22-20(18-13-17(18)19-7-3-4-10-21-19)12-14-8-9-15-5-1-2-6-16(15)11-14;22-20(19-12-18(19)17-6-3-9-21-13-17)11-14-7-8-15-4-1-2-5-16(15)10-14;22-20(19-13-18(19)16-7-9-21-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-14,16,25-26H,15,17-18H2,(H,30,32);2-11,13,20-21H,12,14H2,1H3;2-11,13,20-21H,12,14H2,1H3;1-10,12,19-20H,11,13H2;1-11,17-18H,12-13H2;1-10,13,18-19H,11-12H2;1-11,18-19H,12-13H2
InChIKeyVDRMRPWLRANDJV-UHFFFAOYSA-N
MW2247.77 g/mol
LogP31.73
Rot. Bonds33

About 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone

1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone (PubChem CID 161270016) has the molecular formula C154H132FN5O11 and a molecular weight of 2247.77 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone
PubChem CID161270016
Molecular FormulaC154H132FN5O11
Molecular Weight2247.77 g/mol
Exact Mass2245.99
IUPAC Name1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone
SMILESCOC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.COc1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccc(F)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccccn1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccnc1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccncc1.O=C(NCc1ccncc1)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H24N2O2.C23H20O3.C22H20O2.C21H17FO.3C20H17NO/c31-27(15-20-8-9-21-4-1-2-5-22(21)14-20)26-17-25(26)23-6-3-7-24(16-23)28(32)30-18-19-10-12-29-13-11-19;1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15;1-24-19-8-4-7-18(13-19)20-14-21(20)22(23)12-15-9-10-16-5-2-3-6-17(16)11-15;22-18-7-3-6-17(12-18)19-13-20(19)21(23)11-14-8-9-15-4-1-2-5-16(15)10-14;22-20(18-13-17(18)19-7-3-4-10-21-19)12-14-8-9-15-5-1-2-6-16(15)11-14;22-20(19-12-18(19)17-6-3-9-21-13-17)11-14-7-8-15-4-1-2-5-16(15)10-14;22-20(19-13-18(19)16-7-9-21-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-14,16,25-26H,15,17-18H2,(H,30,32);2-11,13,20-21H,12,14H2,1H3;2-11,13,20-21H,12,14H2,1H3;1-10,12,19-20H,11,13H2;1-11,17-18H,12-13H2;1-10,13,18-19H,11-12H2;1-11,18-19H,12-13H2
InChIKeyVDRMRPWLRANDJV-UHFFFAOYSA-N
XLogP31.73
TPSA235.68 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002247.77
LogP ≤ 531.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone (CID 161270016) is 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone is COC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.COc1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccc(F)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccccn1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccnc1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccncc1.O=C(NCc1ccncc1)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone?
The InChIKey is VDRMRPWLRANDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2.C23H20O3.C22H20O2.C21H17FO.3C20H17NO/c31-27(15-20-8-9-21-4-1-2-5-22(21)14-20)26-17-25(26)23-6-3-7-24(16-23)28(32)30-18-19-10-12-29-13-11-19;1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15;1-24-19-8-4-7-18(13-19)20-14-21(20)22(23)12-15-9-10-16-5-2-3-6-17(16)11-15;22-18-7-3-6-17(12-18)19-13-20(19)21(23)11-14-8-9-15-4-1-2-5-16(15)10-14;22-20(18-13-17(18)19-7-3-4-10-21-19)12-14-8-9-15-5-1-2-6-16(15)11-14;22-20(19-12-18(19)17-6-3-9-21-13-17)11-14-7-8-15-4-1-2-5-16(15)10-14;22-20(19-13-18(19)16-7-9-21-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-14,16,25-26H,15,17-18H2,(H,30,32);2-11,13,20-21H,12,14H2,1H3;2-11,13,20-21H,12,14H2,1H3;1-10,12,19-20H,11,13H2;1-11,17-18H,12-13H2;1-10,13,18-19H,11-12H2;1-11,18-19H,12-13H2.
What are the key properties of 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone?
1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone has a molecular weight of 2247.77 g/mol, XLogP of 31.73, 33 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone is sourced from PubChem (CID 161270016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).