2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide

C22H24ClFN4O4 — CID 10434509

IUPAC2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(Cl)cnc1OCC(=O)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2
InChIInChI=1S/C22H24ClFN4O4/c23-13-7-19(27-20(29)10-25)22(26-11-13)31-12-21(30)28-15-3-4-16(28)9-18(8-15)32-17-5-1-14(24)2-6-17/h1-2,5-7,11,15-16,18H,3-4,8-10,12,25H2,(H,27,29)/t15-,16+,18?
InChIKeyLJJWWMIEUMAPIS-BYICEURKSA-N
MW462.91 g/mol
LogP2.75
Rot. Bonds7

About 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide

2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (PubChem CID 10434509) has the molecular formula C22H24ClFN4O4 and a molecular weight of 462.91 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
PubChem CID10434509
Molecular FormulaC22H24ClFN4O4
Molecular Weight462.91 g/mol
Exact Mass462.15
IUPAC Name2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(Cl)cnc1OCC(=O)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2
InChIInChI=1S/C22H24ClFN4O4/c23-13-7-19(27-20(29)10-25)22(26-11-13)31-12-21(30)28-15-3-4-16(28)9-18(8-15)32-17-5-1-14(24)2-6-17/h1-2,5-7,11,15-16,18H,3-4,8-10,12,25H2,(H,27,29)/t15-,16+,18?
InChIKeyLJJWWMIEUMAPIS-BYICEURKSA-N
XLogP2.75
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide with MolForge

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Related Compounds

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CID 71798842
CID 71798842
CID 99993030
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CID 10026701
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CID 10074902
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CID 10431423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (CID 10434509) is 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is NCC(=O)Nc1cc(Cl)cnc1OCC(=O)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2.
What is the InChIKey of 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The InChIKey is LJJWWMIEUMAPIS-BYICEURKSA-N. The full InChI is InChI=1S/C22H24ClFN4O4/c23-13-7-19(27-20(29)10-25)22(26-11-13)31-12-21(30)28-15-3-4-16(28)9-18(8-15)32-17-5-1-14(24)2-6-17/h1-2,5-7,11,15-16,18H,3-4,8-10,12,25H2,(H,27,29)/t15-,16+,18?.
What are the key properties of 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide has a molecular weight of 462.91 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-2-[2-[(1S,5R)-3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 10434509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).