2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

C22H19Cl2N3O3 — CID 121363912

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCN(C(=O)c1ccc(C(N)=O)cc1Cl)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H19Cl2N3O3/c1-30-11-10-27(22(29)16-7-5-14(21(25)28)12-19(16)24)15-6-8-18(23)17(13-15)20-4-2-3-9-26-20/h2-9,12-13H,10-11H2,1H3,(H2,25,28)
InChIKeySWITWISCIRTRAL-UHFFFAOYSA-N
MW444.32 g/mol
LogP4.45
Rot. Bonds7

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 121363912) has the molecular formula C22H19Cl2N3O3 and a molecular weight of 444.32 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID121363912
Molecular FormulaC22H19Cl2N3O3
Molecular Weight444.32 g/mol
Exact Mass443.08
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCN(C(=O)c1ccc(C(N)=O)cc1Cl)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H19Cl2N3O3/c1-30-11-10-27(22(29)16-7-5-14(21(25)28)12-19(16)24)15-6-8-18(23)17(13-15)20-4-2-3-9-26-20/h2-9,12-13H,10-11H2,1H3,(H2,25,28)
InChIKeySWITWISCIRTRAL-UHFFFAOYSA-N
XLogP4.45
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 171424806
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 67456409
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
CID 170123465
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 58614772
2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
CID 91426736
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 161423381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 121363912) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCN(C(=O)c1ccc(C(N)=O)cc1Cl)c1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is SWITWISCIRTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3/c1-30-11-10-27(22(29)16-7-5-14(21(25)28)12-19(16)24)15-6-8-18(23)17(13-15)20-4-2-3-9-26-20/h2-9,12-13H,10-11H2,1H3,(H2,25,28).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 444.32 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 121363912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).