5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide

C18H14BrF2N3O2 — CID 56966147

IUPAC5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2n1C
InChIInChI=1S/C18H14BrF2N3O2/c1-9(22-23-18(26)12-7-10(19)3-6-16(12)25)15-8-11-14(24(15)2)5-4-13(20)17(11)21/h3-8,25H,1-2H3,(H,23,26)/b22-9+
InChIKeyGMYKCASPOYYORC-LSFURLLWSA-N
MW422.23 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 56966147) has the molecular formula C18H14BrF2N3O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
PubChem CID56966147
Molecular FormulaC18H14BrF2N3O2
Molecular Weight422.23 g/mol
Exact Mass421.02
IUPAC Name5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2n1C
InChIInChI=1S/C18H14BrF2N3O2/c1-9(22-23-18(26)12-7-10(19)3-6-16(12)25)15-8-11-14(24(15)2)5-4-13(20)17(11)21/h3-8,25H,1-2H3,(H,23,26)/b22-9+
InChIKeyGMYKCASPOYYORC-LSFURLLWSA-N
XLogP4.08
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
CID 123466513
CID 123466513
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide
CID 87429816
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
CID 56966223
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 840820
5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide
CID 3984145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (CID 56966147) is 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2n1C.
What is the InChIKey of 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is GMYKCASPOYYORC-LSFURLLWSA-N. The full InChI is InChI=1S/C18H14BrF2N3O2/c1-9(22-23-18(26)12-7-10(19)3-6-16(12)25)15-8-11-14(24(15)2)5-4-13(20)17(11)21/h3-8,25H,1-2H3,(H,23,26)/b22-9+.
What are the key properties of 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 422.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 56966147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).