2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

C16H18ClN3O3 — CID 51098888

IUPAC2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCc1cccnc1OC
InChIInChI=1S/C16H18ClN3O3/c1-22-14-6-5-12(17)8-13(14)19-10-15(21)20-9-11-4-3-7-18-16(11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyPZJPVWZRZOQPOY-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds7

About 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 51098888) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID51098888
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCc1cccnc1OC
InChIInChI=1S/C16H18ClN3O3/c1-22-14-6-5-12(17)8-13(14)19-10-15(21)20-9-11-4-3-7-18-16(11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyPZJPVWZRZOQPOY-UHFFFAOYSA-N
XLogP2.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 970515
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 971862
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-3-methyl-pyridinium
CID 24761067
N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
RBP4 ligand-1
CID 2741694
N-(5-chloro-2-methoxybenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
CID 53326648
N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 72195224
N'-(6-chloro-3-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948155
N-(5-chloro-2-methoxyphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3239638
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydrothiazole-4-carboxamide
CID 3591778
2-(4-chlorophenoxy)-N-(6-methoxypyridin-3-yl)-2-methylpropanamide
CID 4801250

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (CID 51098888) is 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is COc1ccc(Cl)cc1NCC(=O)NCc1cccnc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is PZJPVWZRZOQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-14-6-5-12(17)8-13(14)19-10-15(21)20-9-11-4-3-7-18-16(11)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 51098888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).