2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide

C18H21ClN2O3 — CID 52698224

IUPAC2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H21ClN2O3/c1-18(2,13-4-6-14(19)7-5-13)17(22)21-15-8-9-16(20-12-15)24-11-10-23-3/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyGGKCVFMNUWOVGW-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.68
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide

2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide (PubChem CID 52698224) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
PubChem CID52698224
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H21ClN2O3/c1-18(2,13-4-6-14(19)7-5-13)17(22)21-15-8-9-16(20-12-15)24-11-10-23-3/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyGGKCVFMNUWOVGW-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,2-dimethylpropanamide
CID 100782715
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
2,2,3,3-tetrafluoro-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 103732741
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,4-dimethyl-2-propoxypentanamide
CID 133205857
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide (CID 52698224) is 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide is COCCOc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is GGKCVFMNUWOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-18(2,13-4-6-14(19)7-5-13)17(22)21-15-8-9-16(20-12-15)24-11-10-23-3/h4-9,12H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 348.83 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 52698224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).