About 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide
1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 135282446) has the molecular formula C29H28Cl2FN3O4
and a molecular weight of 572.46 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide |
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| PubChem CID | 135282446 |
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| Molecular Formula | C29H28Cl2FN3O4 |
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| Molecular Weight | 572.46 g/mol |
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| Exact Mass | 571.14 |
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| IUPAC Name | 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide |
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| SMILES | CNC(=O)C1(CO[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1 |
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| InChI | InChI=1S/C29H28Cl2FN3O4/c1-27(2,38)18-12-22-24(23(32)13-18)29(17-4-6-19(30)7-5-17,39-16-28(10-11-28)26(37)33-3)35(25(22)36)15-21-9-8-20(31)14-34-21/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H,33,37)/t29-/m1/s1 |
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| InChIKey | XRCTXOPCGZZSRW-GDLZYMKVSA-N |
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| XLogP | 5.15 |
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| TPSA | 91.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 572.46 |
| LogP ≤ 5 | 5.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide (CID 135282446) is 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(CO[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is XRCTXOPCGZZSRW-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28Cl2FN3O4/c1-27(2,38)18-12-22-24(23(32)13-18)29(17-4-6-19(30)7-5-17,39-16-28(10-11-28)26(37)33-3)35(25(22)36)15-21-9-8-20(31)14-34-21/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H,33,37)/t29-/m1/s1.
What are the key properties of 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide?
1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 572.46 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 135282446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).