2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide

C25H22Cl4N2O2 — CID 2803457

IUPAC2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(C)c(C)c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C25H22Cl4N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)24(32)18-19(21(27)23(29)22(28)20(18)26)25(33)31-10-16-7-6-8-30-9-16/h6-9H,10H2,1-5H3,(H,31,33)
InChIKeyUAVDARKMWZVRQG-UHFFFAOYSA-N
MW524.28 g/mol
LogP7.40
Rot. Bonds5

About 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide

2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2803457) has the molecular formula C25H22Cl4N2O2 and a molecular weight of 524.28 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2803457
Molecular FormulaC25H22Cl4N2O2
Molecular Weight524.28 g/mol
Exact Mass522.04
IUPAC Name2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(C)c(C)c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C25H22Cl4N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)24(32)18-19(21(27)23(29)22(28)20(18)26)25(33)31-10-16-7-6-8-30-9-16/h6-9H,10H2,1-5H3,(H,31,33)
InChIKeyUAVDARKMWZVRQG-UHFFFAOYSA-N
XLogP7.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.28
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate
CID 1245323

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 2803457) is 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide is Cc1c(C)c(C)c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)NCc2cccnc2)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is UAVDARKMWZVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl4N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)24(32)18-19(21(27)23(29)22(28)20(18)26)25(33)31-10-16-7-6-8-30-9-16/h6-9H,10H2,1-5H3,(H,31,33).
What are the key properties of 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 524.28 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2803457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).