N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide

C74H56Br4Cl6F5N17O11 — CID 158614446

IUPACN-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cccc(C(F)(F)F)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ccccc1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ncc(F)c(N2CCOCC2)n1.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H14BrClFN5O3.C15H9BrClF3N2O2.C15H15FN6O2.C14H8BrCl3N2O2.C14H10BrClN2O2/c17-10-5-9(13(25)11(18)6-10)7-21-23-16(26)14-20-8-12(19)15(22-14)24-1-3-27-4-2-24;16-11-5-9(13(23)12(17)6-11)7-21-22-14(24)8-2-1-3-10(4-8)15(18,19)20;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11;15-9-1-8(13(21)12(18)4-9)6-19-20-14(22)7-2-10(16)5-11(17)3-7;15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h5-8,25H,1-4H2,(H,23,26);1-7,23H,(H,22,24);1-4,9-10H,5-8H2,(H,21,23);1-6,21H,(H,20,22);1-8,19H,(H,18,20)
InChIKeyHXFIWUGTSHAUST-UHFFFAOYSA-N
MW1986.69 g/mol
LogP15.99
Rot. Bonds17

About N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide

N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide (PubChem CID 158614446) has the molecular formula C74H56Br4Cl6F5N17O11 and a molecular weight of 1986.69 g/mol. Its IUPAC name is N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
PubChem CID158614446
Molecular FormulaC74H56Br4Cl6F5N17O11
Molecular Weight1986.69 g/mol
Exact Mass1978.91
IUPAC NameN-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cccc(C(F)(F)F)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ccccc1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ncc(F)c(N2CCOCC2)n1.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H14BrClFN5O3.C15H9BrClF3N2O2.C15H15FN6O2.C14H8BrCl3N2O2.C14H10BrClN2O2/c17-10-5-9(13(25)11(18)6-10)7-21-23-16(26)14-20-8-12(19)15(22-14)24-1-3-27-4-2-24;16-11-5-9(13(23)12(17)6-11)7-21-22-14(24)8-2-1-3-10(4-8)15(18,19)20;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11;15-9-1-8(13(21)12(18)4-9)6-19-20-14(22)7-2-10(16)5-11(17)3-7;15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h5-8,25H,1-4H2,(H,23,26);1-7,23H,(H,22,24);1-4,9-10H,5-8H2,(H,21,23);1-6,21H,(H,20,22);1-8,19H,(H,18,20)
InChIKeyHXFIWUGTSHAUST-UHFFFAOYSA-N
XLogP15.99
TPSA377.61 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001986.69
LogP ≤ 515.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The IUPAC name of N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide (CID 158614446) is N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide is O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1cccc(C(F)(F)F)c1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ccccc1.O=C(NN=Cc1cc(Br)cc(Cl)c1O)c1ncc(F)c(N2CCOCC2)n1.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The InChIKey is HXFIWUGTSHAUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN5O3.C15H9BrClF3N2O2.C15H15FN6O2.C14H8BrCl3N2O2.C14H10BrClN2O2/c17-10-5-9(13(25)11(18)6-10)7-21-23-16(26)14-20-8-12(19)15(22-14)24-1-3-27-4-2-24;16-11-5-9(13(23)12(17)6-11)7-21-22-14(24)8-2-1-3-10(4-8)15(18,19)20;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11;15-9-1-8(13(21)12(18)4-9)6-19-20-14(22)7-2-10(16)5-11(17)3-7;15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h5-8,25H,1-4H2,(H,23,26);1-7,23H,(H,22,24);1-4,9-10H,5-8H2,(H,21,23);1-6,21H,(H,20,22);1-8,19H,(H,18,20).
What are the key properties of N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide has a molecular weight of 1986.69 g/mol, XLogP of 15.99, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 158614446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).