N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

C19H19BrN2O4 — CID 6041514

IUPACN-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1Br
InChIInChI=1S/C19H19BrN2O4/c1-4-7-26-18-6-5-13(8-17(18)20)12-21-22-19(23)14-9-15(24-2)11-16(10-14)25-3/h4-6,8-12H,1,7H2,2-3H3,(H,22,23)/b21-12-
InChIKeyNUWXINJWGNLHDU-MTJSOVHGSA-N
MW419.28 g/mol
LogP3.80
Rot. Bonds8

About N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 6041514) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID6041514
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC NameN-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1Br
InChIInChI=1S/C19H19BrN2O4/c1-4-7-26-18-6-5-13(8-17(18)20)12-21-22-19(23)14-9-15(24-2)11-16(10-14)25-3/h4-6,8-12H,1,7H2,2-3H3,(H,22,23)/b21-12-
InChIKeyNUWXINJWGNLHDU-MTJSOVHGSA-N
XLogP3.80
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 71670057
N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126337575
N-[(E)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126339226
N-[(E)-[3-bromo-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319907
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
2-[2,6-dibromo-4-[(E)-[(3-methoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126323493
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126307160
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6275932
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4177540

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 6041514) is N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is C=CCOc1ccc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is NUWXINJWGNLHDU-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-4-7-26-18-6-5-13(8-17(18)20)12-21-22-19(23)14-9-15(24-2)11-16(10-14)25-3/h4-6,8-12H,1,7H2,2-3H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 419.28 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 6041514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).