2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide

C35H28Cl4F4N6O4 — CID 161404986

IUPAC2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide
SMILESCc1nc(-c2ccc(N)nc2)c(C)o1.Cc1nc(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)c(C)o1.ClCCl.O=C(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C17H12F3N3O2.C10H11N3O.C7H3Cl2FO.CH2Cl2/c1-8-16(22-9(2)25-8)10-3-6-13(21-7-10)23-17(24)14-11(18)4-5-12(19)15(14)20;1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h3-7H,1-2H3,(H,21,23,24);3-5H,1-2H3,(H2,11,12);1-3H;1H2
InChIKeyVUSLUEAKULFLKF-UHFFFAOYSA-N
MW814.45 g/mol
LogP10.24
Rot. Bonds5

About 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide

2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide (PubChem CID 161404986) has the molecular formula C35H28Cl4F4N6O4 and a molecular weight of 814.45 g/mol. Its IUPAC name is 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide.

Molecular Properties

Compound Name2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide
PubChem CID161404986
Molecular FormulaC35H28Cl4F4N6O4
Molecular Weight814.45 g/mol
Exact Mass812.09
IUPAC Name2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide
SMILESCc1nc(-c2ccc(N)nc2)c(C)o1.Cc1nc(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)c(C)o1.ClCCl.O=C(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C17H12F3N3O2.C10H11N3O.C7H3Cl2FO.CH2Cl2/c1-8-16(22-9(2)25-8)10-3-6-13(21-7-10)23-17(24)14-11(18)4-5-12(19)15(14)20;1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h3-7H,1-2H3,(H,21,23,24);3-5H,1-2H3,(H2,11,12);1-3H;1H2
InChIKeyVUSLUEAKULFLKF-UHFFFAOYSA-N
XLogP10.24
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.45
LogP ≤ 510.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide with MolForge

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Related Compounds

2-chloro-3-fluorobenzoyl chloride;2-chloro-3-fluoro-N-[5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]benzamide;dichloromethane;5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine
CID 162071909
dichloromethane;2,6-difluorobenzoyl chloride;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide
CID 161009914
dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride
CID 158422454
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 162011863
N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
CID 118346226
N-[5-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide
CID 89264079
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-pyridinyl]benzamide;5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyridin-2-amine
CID 159159544
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 122640425
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide?
The IUPAC name of 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide (CID 161404986) is 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide.
What is the SMILES notation for 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide?
The canonical SMILES for 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide is Cc1nc(-c2ccc(N)nc2)c(C)o1.Cc1nc(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)c(C)o1.ClCCl.O=C(Cl)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide?
The InChIKey is VUSLUEAKULFLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2.C10H11N3O.C7H3Cl2FO.CH2Cl2/c1-8-16(22-9(2)25-8)10-3-6-13(21-7-10)23-17(24)14-11(18)4-5-12(19)15(14)20;1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h3-7H,1-2H3,(H,21,23,24);3-5H,1-2H3,(H2,11,12);1-3H;1H2.
What are the key properties of 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide?
2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide has a molecular weight of 814.45 g/mol, XLogP of 10.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide is sourced from PubChem (CID 161404986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).