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

C35H23Cl5F8N6O4 — CID 162071909

IUPAC2-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
SMILESCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.Cc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2cccc(F)c2Cl)nc1.ClCCl.O=C(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C17H10ClF4N3O2.C10H8F3N3O.C7H3Cl2FO.CH2Cl2/c1-8-14(25-16(27-8)17(20,21)22)9-5-6-12(23-7-9)24-15(26)10-3-2-4-11(19)13(10)18;1-5-8(6-2-3-7(14)15-4-6)16-9(17-5)10(11,12)13;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h2-7H,1H3,(H,23,24,26);2-4H,1H3,(H2,14,15);1-3H;1H2
InChIKeyZBEXPKTUOPVLKR-UHFFFAOYSA-N
MW920.86 g/mol
LogP12.03
Rot. Bonds5

About 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

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 (PubChem CID 162071909) has the molecular formula C35H23Cl5F8N6O4 and a molecular weight of 920.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162071909
Molecular FormulaC35H23Cl5F8N6O4
Molecular Weight920.86 g/mol
Exact Mass918.01
IUPAC Name2-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
SMILESCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.Cc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2cccc(F)c2Cl)nc1.ClCCl.O=C(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C17H10ClF4N3O2.C10H8F3N3O.C7H3Cl2FO.CH2Cl2/c1-8-14(25-16(27-8)17(20,21)22)9-5-6-12(23-7-9)24-15(26)10-3-2-4-11(19)13(10)18;1-5-8(6-2-3-7(14)15-4-6)16-9(17-5)10(11,12)13;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h2-7H,1H3,(H,23,24,26);2-4H,1H3,(H2,14,15);1-3H;1H2
InChIKeyZBEXPKTUOPVLKR-UHFFFAOYSA-N
XLogP12.03
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.86
LogP ≤ 512.03
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'}

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Related Compounds

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
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
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
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-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
CID 70833648
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
CID 118346226
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide
CID 118894429
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
CID 158708379
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.Cc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2cccc(F)c2Cl)nc1.ClCCl.O=C(Cl)c1cccc(F)c1Cl.
What is the InChIKey of 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?
The InChIKey is ZBEXPKTUOPVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O2.C10H8F3N3O.C7H3Cl2FO.CH2Cl2/c1-8-14(25-16(27-8)17(20,21)22)9-5-6-12(23-7-9)24-15(26)10-3-2-4-11(19)13(10)18;1-5-8(6-2-3-7(14)15-4-6)16-9(17-5)10(11,12)13;8-6-4(7(9)11)2-1-3-5(6)10;2-1-3/h2-7H,1H3,(H,23,24,26);2-4H,1H3,(H2,14,15);1-3H;1H2.
What are the key properties of 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?
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 has a molecular weight of 920.86 g/mol, XLogP of 12.03, 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;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 is sourced from PubChem (CID 162071909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).