2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C23H22ClN3O4 — CID 41084044

IUPAC2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C(=O)N[C@H](C)c2ccccn2)cc1Cl
InChIInChI=1S/C23H22ClN3O4/c1-15(19-8-5-6-12-25-19)26-23(29)17-7-3-4-9-20(17)31-14-22(28)27-16-10-11-21(30-2)18(24)13-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeyHIEDDQXTGKTHBK-OAHLLOKOSA-N
MW439.90 g/mol
LogP4.25
Rot. Bonds8

About 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide

2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 41084044) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID41084044
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C(=O)N[C@H](C)c2ccccn2)cc1Cl
InChIInChI=1S/C23H22ClN3O4/c1-15(19-8-5-6-12-25-19)26-23(29)17-7-3-4-9-20(17)31-14-22(28)27-16-10-11-21(30-2)18(24)13-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeyHIEDDQXTGKTHBK-OAHLLOKOSA-N
XLogP4.25
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
[2-(ethylamino)-2-oxoethyl] 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoate
CID 2705826
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 3544904
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 41084044) is 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide is COc1ccc(NC(=O)COc2ccccc2C(=O)N[C@H](C)c2ccccn2)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is HIEDDQXTGKTHBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-15(19-8-5-6-12-25-19)26-23(29)17-7-3-4-9-20(17)31-14-22(28)27-16-10-11-21(30-2)18(24)13-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)/t15-/m1/s1.
What are the key properties of 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 439.90 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 41084044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).