N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide

C17H15BrN2O2 — CID 4925636

IUPACN-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-2-11-22-16-9-5-14(6-10-16)17(21)20-19-12-13-3-7-15(18)8-4-13/h2-10,12H,1,11H2,(H,20,21)
InChIKeyQGXWOWZXLYSSHD-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.78
Rot. Bonds6

About N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide

N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 4925636) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
PubChem CID4925636
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-2-11-22-16-9-5-14(6-10-16)17(21)20-19-12-13-3-7-15(18)8-4-13/h2-10,12H,1,11H2,(H,20,21)
InChIKeyQGXWOWZXLYSSHD-UHFFFAOYSA-N
XLogP3.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide (CID 4925636) is N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is QGXWOWZXLYSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-2-11-22-16-9-5-14(6-10-16)17(21)20-19-12-13-3-7-15(18)8-4-13/h2-10,12H,1,11H2,(H,20,21).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide?
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 359.22 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).