2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C17H17ClFN3O2 — CID 30267448

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H17ClFN3O2/c18-14-9-12(19)3-5-15(14)24-11-17(23)21-13-4-6-16(20-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)
InChIKeyQKUJBXYEUXNJSL-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.49
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 30267448) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID30267448
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H17ClFN3O2/c18-14-9-12(19)3-5-15(14)24-11-17(23)21-13-4-6-16(20-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)
InChIKeyQKUJBXYEUXNJSL-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-fluorophenoxy)propanamide
CID 55972764
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
2-(2-aminoethoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 79473295
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(2-methoxy-4-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 55501091

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 30267448) is 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is O=C(COc1ccc(F)cc1Cl)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is QKUJBXYEUXNJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-14-9-12(19)3-5-15(14)24-11-17(23)21-13-4-6-16(20-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 349.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 30267448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).