2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

C26H27ClFN3O3 — CID 24944602

IUPAC2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2Cl)cn1)NCc1cccc(F)c1
InChIInChI=1S/C26H27ClFN3O3/c27-25-16-23(34-13-10-31-8-11-33-12-9-31)6-7-24(25)20-4-5-22(29-18-20)15-26(32)30-17-19-2-1-3-21(28)14-19/h1-7,14,16,18H,8-13,15,17H2,(H,30,32)
InChIKeyINPBJQXNDRHYSW-UHFFFAOYSA-N
MW483.97 g/mol
LogP4.11
Rot. Bonds9

About 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 24944602) has the molecular formula C26H27ClFN3O3 and a molecular weight of 483.97 g/mol. Its IUPAC name is 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID24944602
Molecular FormulaC26H27ClFN3O3
Molecular Weight483.97 g/mol
Exact Mass483.17
IUPAC Name2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2Cl)cn1)NCc1cccc(F)c1
InChIInChI=1S/C26H27ClFN3O3/c27-25-16-23(34-13-10-31-8-11-33-12-9-31)6-7-24(25)20-4-5-22(29-18-20)15-26(32)30-17-19-2-1-3-21(28)14-19/h1-7,14,16,18H,8-13,15,17H2,(H,30,32)
InChIKeyINPBJQXNDRHYSW-UHFFFAOYSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.97
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 24944602) is 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2Cl)cn1)NCc1cccc(F)c1.
What is the InChIKey of 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is INPBJQXNDRHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O3/c27-25-16-23(34-13-10-31-8-11-33-12-9-31)6-7-24(25)20-4-5-22(29-18-20)15-26(32)30-17-19-2-1-3-21(28)14-19/h1-7,14,16,18H,8-13,15,17H2,(H,30,32).
What are the key properties of 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 483.97 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 24944602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).