2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide

C18H17BrN2O3 — CID 139343121

IUPAC2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
SMILESC=CCc1cc(/C=N\NC(=O)c2ccccc2Br)c(O)c(OC)c1
InChIInChI=1S/C18H17BrN2O3/c1-3-6-12-9-13(17(22)16(10-12)24-2)11-20-21-18(23)14-7-4-5-8-15(14)19/h3-5,7-11,22H,1,6H2,2H3,(H,21,23)/b20-11-
InChIKeyCMONDQWXZJEXAK-JAIQZWGSSA-N
MW389.25 g/mol
LogP3.66
Rot. Bonds6

About 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide

2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide (PubChem CID 139343121) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
PubChem CID139343121
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
SMILESC=CCc1cc(/C=N\NC(=O)c2ccccc2Br)c(O)c(OC)c1
InChIInChI=1S/C18H17BrN2O3/c1-3-6-12-9-13(17(22)16(10-12)24-2)11-20-21-18(23)14-7-4-5-8-15(14)19/h3-5,7-11,22H,1,6H2,2H3,(H,21,23)/b20-11-
InChIKeyCMONDQWXZJEXAK-JAIQZWGSSA-N
XLogP3.66
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135922466
N-[(E)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
CID 163218011
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 139301919
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide (CID 139343121) is 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide is C=CCc1cc(/C=N\NC(=O)c2ccccc2Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide?
The InChIKey is CMONDQWXZJEXAK-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-6-12-9-13(17(22)16(10-12)24-2)11-20-21-18(23)14-7-4-5-8-15(14)19/h3-5,7-11,22H,1,6H2,2H3,(H,21,23)/b20-11-.
What are the key properties of 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide has a molecular weight of 389.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 139343121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).