N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide

C22H20F2N2O2 — CID 51121498

IUPACN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cc(F)c(N2CCCC2)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c23-19-12-17(13-20(24)22(19)26-9-3-4-10-26)25-21(27)14-28-18-8-7-15-5-1-2-6-16(15)11-18/h1-2,5-8,11-13H,3-4,9-10,14H2,(H,25,27)
InChIKeyUGEOFHLYXRKQNE-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.74
Rot. Bonds5

About N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 51121498) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
PubChem CID51121498
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cc(F)c(N2CCCC2)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c23-19-12-17(13-20(24)22(19)26-9-3-4-10-26)25-21(27)14-28-18-8-7-15-5-1-2-6-16(15)11-18/h1-2,5-8,11-13H,3-4,9-10,14H2,(H,25,27)
InChIKeyUGEOFHLYXRKQNE-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55835649
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
2-naphthalen-2-yloxy-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 16889464

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide (CID 51121498) is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1cc(F)c(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is UGEOFHLYXRKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-19-12-17(13-20(24)22(19)26-9-3-4-10-26)25-21(27)14-28-18-8-7-15-5-1-2-6-16(15)11-18/h1-2,5-8,11-13H,3-4,9-10,14H2,(H,25,27).
What are the key properties of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 382.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 51121498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).