2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide

C16H15Cl2N3O3 — CID 112993156

IUPAC2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)7-12)24-10-16(23)21-9-15(22)20-8-11-3-5-19-6-4-11/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyPDCSBDJFLZSVNK-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.20
Rot. Bonds7

About 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 112993156) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID112993156
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)7-12)24-10-16(23)21-9-15(22)20-8-11-3-5-19-6-4-11/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyPDCSBDJFLZSVNK-UHFFFAOYSA-N
XLogP2.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide (CID 112993156) is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccncc1.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PDCSBDJFLZSVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)7-12)24-10-16(23)21-9-15(22)20-8-11-3-5-19-6-4-11/h1-7H,8-10H2,(H,20,22)(H,21,23).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 368.22 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 112993156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).