2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide

C19H12Cl3N3O2 — CID 44561918

IUPAC2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27)
InChIKeyDEQVGBYJEVEQAE-UHFFFAOYSA-N
MW420.68 g/mol
LogP5.55
Rot. Bonds4

About 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide

2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44561918) has the molecular formula C19H12Cl3N3O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44561918
Molecular FormulaC19H12Cl3N3O2
Molecular Weight420.68 g/mol
Exact Mass419.00
IUPAC Name2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27)
InChIKeyDEQVGBYJEVEQAE-UHFFFAOYSA-N
XLogP5.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561916
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 68848669
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44561918) is 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide is O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is DEQVGBYJEVEQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 420.68 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44561918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).