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

C27H22Cl2N4O2 — CID 154248419

IUPAC1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(CCNc2ccccc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C27H22Cl2N4O2/c28-23-12-10-20(17-22(23)25-8-4-5-13-32-25)33(15-14-31-19-6-2-1-3-7-19)27(35)21-11-9-18(26(30)34)16-24(21)29/h1-13,16-17,31H,14-15H2,(H2,30,34)
InChIKeyHIFIYYGIRNNITK-UHFFFAOYSA-N
MW505.41 g/mol
LogP5.91
Rot. Bonds8

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

1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 154248419) has the molecular formula C27H22Cl2N4O2 and a molecular weight of 505.41 g/mol. Its IUPAC name is 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID154248419
Molecular FormulaC27H22Cl2N4O2
Molecular Weight505.41 g/mol
Exact Mass504.11
IUPAC Name1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(CCNc2ccccc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C27H22Cl2N4O2/c28-23-12-10-20(17-22(23)25-8-4-5-13-32-25)33(15-14-31-19-6-2-1-3-7-19)27(35)21-11-9-18(26(30)34)16-24(21)29/h1-13,16-17,31H,14-15H2,(H2,30,34)
InChIKeyHIFIYYGIRNNITK-UHFFFAOYSA-N
XLogP5.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
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-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
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(1,2-oxazol-5-yl)carbamimidoyl]benzamide
CID 147378946
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[2-[(2S)-oxolan-2-yl]ethyl]benzene-1,4-dicarboxamide
CID 170123871

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (CID 154248419) is 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)N(CCNc2ccccc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is HIFIYYGIRNNITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N4O2/c28-23-12-10-20(17-22(23)25-8-4-5-13-32-25)33(15-14-31-19-6-2-1-3-7-19)27(35)21-11-9-18(26(30)34)16-24(21)29/h1-13,16-17,31H,14-15H2,(H2,30,34).
What are the key properties of 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 505.41 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 154248419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).