2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide

C20H18ClN3O2 — CID 113031330

IUPAC2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
SMILESCc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-14-4-2-3-5-18(14)23-16-8-11-19(22-12-16)24-20(25)13-26-17-9-6-15(21)7-10-17/h2-12,23H,13H2,1H3,(H,22,24,25)
InChIKeyMYQXMUCQFOSVPZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.80
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide (PubChem CID 113031330) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
PubChem CID113031330
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
SMILESCc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-14-4-2-3-5-18(14)23-16-8-11-19(22-12-16)24-20(25)13-26-17-9-6-15(21)7-10-17/h2-12,23H,13H2,1H3,(H,22,24,25)
InChIKeyMYQXMUCQFOSVPZ-UHFFFAOYSA-N
XLogP4.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034522
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide (CID 113031330) is 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide is Cc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide?
The InChIKey is MYQXMUCQFOSVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14-4-2-3-5-18(14)23-16-8-11-19(22-12-16)24-20(25)13-26-17-9-6-15(21)7-10-17/h2-12,23H,13H2,1H3,(H,22,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide has a molecular weight of 367.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113031330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).