N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide

C22H21ClN2O2 — CID 21212389

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c23-20-14-18(8-10-21(20)25-11-3-4-12-25)24-22(26)15-27-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,26)
InChIKeyDYPKXSXUDXUWFJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.11
Rot. Bonds5

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 21212389) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
PubChem CID21212389
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c23-20-14-18(8-10-21(20)25-11-3-4-12-25)24-22(26)15-27-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,26)
InChIKeyDYPKXSXUDXUWFJ-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.11
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-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 51121498
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 4043146
2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
CID 2193275

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide (CID 21212389) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is DYPKXSXUDXUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-20-14-18(8-10-21(20)25-11-3-4-12-25)24-22(26)15-27-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,26).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 380.88 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 21212389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).