2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide

C28H30F2N2O2 — CID 143602139

IUPAC2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(CCCN3CCOCC3)cc2F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C28H30F2N2O2/c29-25-5-1-3-23(17-25)20-31-28(33)19-22-6-9-24(10-7-22)26-11-8-21(18-27(26)30)4-2-12-32-13-15-34-16-14-32/h1,3,5-11,17-18H,2,4,12-16,19-20H2,(H,31,33)
InChIKeyVYDJTYSVXAMYMQ-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.76
Rot. Bonds9

About 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 143602139) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID143602139
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(CCCN3CCOCC3)cc2F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C28H30F2N2O2/c29-25-5-1-3-23(17-25)20-31-28(33)19-22-6-9-24(10-7-22)26-11-8-21(18-27(26)30)4-2-12-32-13-15-34-16-14-32/h1,3,5-11,17-18H,2,4,12-16,19-20H2,(H,31,33)
InChIKeyVYDJTYSVXAMYMQ-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluoro-4-morpholin-4-yloxyphenyl)phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59508388
2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190221
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000730
2-[[[2-(3-fluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365117
2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 58190266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 143602139) is 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(-c2ccc(CCCN3CCOCC3)cc2F)cc1)NCc1cccc(F)c1.
What is the InChIKey of 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is VYDJTYSVXAMYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c29-25-5-1-3-23(17-25)20-31-28(33)19-22-6-9-24(10-7-22)26-11-8-21(18-27(26)30)4-2-12-32-13-15-34-16-14-32/h1,3,5-11,17-18H,2,4,12-16,19-20H2,(H,31,33).
What are the key properties of 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 464.56 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 143602139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).