2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide

C21H18ClN3O3 — CID 30335947

IUPAC2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-14-12-15(9-10-17(14)22)28-13-20(26)24-18-7-3-2-6-16(18)21(27)25-19-8-4-5-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyUNYCAOQFQUDNQJ-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.31
Rot. Bonds6

About 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 30335947) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
PubChem CID30335947
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-14-12-15(9-10-17(14)22)28-13-20(26)24-18-7-3-2-6-16(18)21(27)25-19-8-4-5-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyUNYCAOQFQUDNQJ-UHFFFAOYSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide (CID 30335947) is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide is Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccn2)ccc1Cl.
What is the InChIKey of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The InChIKey is UNYCAOQFQUDNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14-12-15(9-10-17(14)22)28-13-20(26)24-18-7-3-2-6-16(18)21(27)25-19-8-4-5-11-23-19/h2-12H,13H2,1H3,(H,24,26)(H,23,25,27).
What are the key properties of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 395.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 30335947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).