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

C21H18ClN3O2 — CID 44561916

IUPAC2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-8-14(2)10-15(9-13)20(26)24-16-5-6-19(22)18(11-16)21(27)25-17-4-3-7-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFMFYUFUEHMPOMP-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.86
Rot. Bonds4

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

2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44561916) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44561916
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-8-14(2)10-15(9-13)20(26)24-16-5-6-19(22)18(11-16)21(27)25-17-4-3-7-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFMFYUFUEHMPOMP-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561918
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
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-chloro-5-[(3-methylbenzoyl)amino]benzamide
CID 131990534
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44561916) is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is FMFYUFUEHMPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-8-14(2)10-15(9-13)20(26)24-16-5-6-19(22)18(11-16)21(27)25-17-4-3-7-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 379.85 g/mol, XLogP of 4.86, 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-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44561916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).