(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C17H15BrN2O3 — CID 168655078

IUPAC(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N/N=C/c2cccc(Br)c2)ccc1O
InChIInChI=1S/C17H15BrN2O3/c1-23-16-10-12(5-7-15(16)21)6-8-17(22)20-19-11-13-3-2-4-14(18)9-13/h2-11,21H,1H3,(H,20,22)/b8-6+,19-11+
InChIKeyRRXYWDYCOQADTG-MBUVCTSYSA-N
MW375.22 g/mol
LogP3.33
Rot. Bonds5

About (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 168655078) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID168655078
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N/N=C/c2cccc(Br)c2)ccc1O
InChIInChI=1S/C17H15BrN2O3/c1-23-16-10-12(5-7-15(16)21)6-8-17(22)20-19-11-13-3-2-4-14(18)9-13/h2-11,21H,1H3,(H,20,22)/b8-6+,19-11+
InChIKeyRRXYWDYCOQADTG-MBUVCTSYSA-N
XLogP3.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137052218
(E)-N-[(E)-(4-bromophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 46501798
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-1-(3-bromophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxopent-4-enyl]acetamide
CID 71535628
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
CID 19166546
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
(E)-N-hydroxy-3-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]prop-2-enamide
CID 177379694
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 168655078) is (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)N/N=C/c2cccc(Br)c2)ccc1O.
What is the InChIKey of (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is RRXYWDYCOQADTG-MBUVCTSYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-23-16-10-12(5-7-15(16)21)6-8-17(22)20-19-11-13-3-2-4-14(18)9-13/h2-11,21H,1H3,(H,20,22)/b8-6+,19-11+.
What are the key properties of (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 375.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 168655078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).