N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C18H19BrN2O4 — CID 110515468

IUPACN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OC)c2Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-23-14-7-4-12(5-8-14)10-16(22)21-20-11-13-6-9-15(24-2)18(25-3)17(13)19/h4-9,11H,10H2,1-3H3,(H,21,22)/b20-11-
InChIKeyDEZVNRFBFNYNAB-JAIQZWGSSA-N
MW407.26 g/mol
LogP3.17
Rot. Bonds7

About N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 110515468) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID110515468
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OC)c2Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-23-14-7-4-12(5-8-14)10-16(22)21-20-11-13-6-9-15(24-2)18(25-3)17(13)19/h4-9,11H,10H2,1-3H3,(H,21,22)/b20-11-
InChIKeyDEZVNRFBFNYNAB-JAIQZWGSSA-N
XLogP3.17
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.17
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-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 136789403
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 110509184
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21370809
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110515083
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4149416
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4034842
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
CID 137145842
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 110515468) is N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OC)c2Br)cc1.
What is the InChIKey of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DEZVNRFBFNYNAB-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-23-14-7-4-12(5-8-14)10-16(22)21-20-11-13-6-9-15(24-2)18(25-3)17(13)19/h4-9,11H,10H2,1-3H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110515468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).