5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide

C28H24Cl2N4O2 — CID 52941698

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C28H24Cl2N4O2/c1-34(2)17-20-5-3-4-6-23(20)18-7-9-19(10-8-18)27(35)32-25-13-11-21(29)15-24(25)28(36)33-26-14-12-22(30)16-31-26/h3-16H,17H2,1-2H3,(H,32,35)(H,31,33,36)
InChIKeyFJQYYWBVLQJICY-UHFFFAOYSA-N
MW519.43 g/mol
LogP6.62
Rot. Bonds7

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide (PubChem CID 52941698) has the molecular formula C28H24Cl2N4O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide
PubChem CID52941698
Molecular FormulaC28H24Cl2N4O2
Molecular Weight519.43 g/mol
Exact Mass518.13
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C28H24Cl2N4O2/c1-34(2)17-20-5-3-4-6-23(20)18-7-9-19(10-8-18)27(35)32-25-13-11-21(29)15-24(25)28(36)33-26-14-12-22(30)16-31-26/h3-16H,17H2,1-2H3,(H,32,35)(H,31,33,36)
InChIKeyFJQYYWBVLQJICY-UHFFFAOYSA-N
XLogP6.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide (CID 52941698) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide is CN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide?
The InChIKey is FJQYYWBVLQJICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O2/c1-34(2)17-20-5-3-4-6-23(20)18-7-9-19(10-8-18)27(35)32-25-13-11-21(29)15-24(25)28(36)33-26-14-12-22(30)16-31-26/h3-16H,17H2,1-2H3,(H,32,35)(H,31,33,36).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide has a molecular weight of 519.43 g/mol, XLogP of 6.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide is sourced from PubChem (CID 52941698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).