5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide

C24H20ClF3N6O3 — CID 71258952

IUPAC5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(/C=N\NC(N)=O)cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl
InChIInChI=1S/C24H20ClF3N6O3/c1-12-8-13(11-32-34-23(29)37)9-17(21(35)30-2)19(12)33-22(36)15-6-5-14(24(26,27)28)10-16(15)20-18(25)4-3-7-31-20/h3-11H,1-2H3,(H,30,35)(H,33,36)(H3,29,34,37)/b32-11-
InChIKeyCZBJDPXXDAKQDY-MDVINBTASA-N
MW532.91 g/mol
LogP4.34
Rot. Bonds6

About 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide

5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide (PubChem CID 71258952) has the molecular formula C24H20ClF3N6O3 and a molecular weight of 532.91 g/mol. Its IUPAC name is 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide
PubChem CID71258952
Molecular FormulaC24H20ClF3N6O3
Molecular Weight532.91 g/mol
Exact Mass532.12
IUPAC Name5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(/C=N\NC(N)=O)cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl
InChIInChI=1S/C24H20ClF3N6O3/c1-12-8-13(11-32-34-23(29)37)9-17(21(35)30-2)19(12)33-22(36)15-6-5-14(24(26,27)28)10-16(15)20-18(25)4-3-7-31-20/h3-11H,1-2H3,(H,30,35)(H,33,36)(H3,29,34,37)/b32-11-
InChIKeyCZBJDPXXDAKQDY-MDVINBTASA-N
XLogP4.34
TPSA138.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.91
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide (CID 71258952) is 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1cc(/C=N\NC(N)=O)cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl.
What is the InChIKey of 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide?
The InChIKey is CZBJDPXXDAKQDY-MDVINBTASA-N. The full InChI is InChI=1S/C24H20ClF3N6O3/c1-12-8-13(11-32-34-23(29)37)9-17(21(35)30-2)19(12)33-22(36)15-6-5-14(24(26,27)28)10-16(15)20-18(25)4-3-7-31-20/h3-11H,1-2H3,(H,30,35)(H,33,36)(H3,29,34,37)/b32-11-.
What are the key properties of 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide?
5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide has a molecular weight of 532.91 g/mol, XLogP of 4.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 71258952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).