2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

C19H21BrN2O4 — CID 6534157

IUPAC2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-16(13-5-10-17(24-2)18(11-13)25-3)21-22-19(23)12-26-15-8-6-14(20)7-9-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-16-
InChIKeyQNVITNUQWRHYSA-PGMHBOJBSA-N
MW421.29 g/mol
LogP3.78
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (PubChem CID 6534157) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
PubChem CID6534157
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-16(13-5-10-17(24-2)18(11-13)25-3)21-22-19(23)12-26-15-8-6-14(20)7-9-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-16-
InChIKeyQNVITNUQWRHYSA-PGMHBOJBSA-N
XLogP3.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.78
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

2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135674764

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (CID 6534157) is 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The InChIKey is QNVITNUQWRHYSA-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-16(13-5-10-17(24-2)18(11-13)25-3)21-22-19(23)12-26-15-8-6-14(20)7-9-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-16-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide has a molecular weight of 421.29 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 6534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).