3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide

C19H22BrN3O3 — CID 9259628

IUPAC3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C19H22BrN3O3/c1-5-26-18-16(20)10-14(11-17(18)25-4)19(24)22-21-12-13-6-8-15(9-7-13)23(2)3/h6-12H,5H2,1-4H3,(H,22,24)/b21-12-
InChIKeyZXFYYDQQXXPPKF-MTJSOVHGSA-N
MW420.31 g/mol
LogP3.69
Rot. Bonds7

About 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide

3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide (PubChem CID 9259628) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide
PubChem CID9259628
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C19H22BrN3O3/c1-5-26-18-16(20)10-14(11-17(18)25-4)19(24)22-21-12-13-6-8-15(9-7-13)23(2)3/h6-12H,5H2,1-4H3,(H,22,24)/b21-12-
InChIKeyZXFYYDQQXXPPKF-MTJSOVHGSA-N
XLogP3.69
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593
3-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 135811577
3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
CID 9466681
N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909468
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126320857
4-amino-N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909101
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 124605332
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6301205
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148839
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide (CID 9259628) is 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1OC.
What is the InChIKey of 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide?
The InChIKey is ZXFYYDQQXXPPKF-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-5-26-18-16(20)10-14(11-17(18)25-4)19(24)22-21-12-13-6-8-15(9-7-13)23(2)3/h6-12H,5H2,1-4H3,(H,22,24)/b21-12-.
What are the key properties of 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide?
3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide has a molecular weight of 420.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 9259628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).