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

C18H19BrN2O3 — CID 9059627

IUPAC2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-17(13-7-9-15(23-2)10-8-13)20-21-18(22)12-24-16-6-4-5-14(19)11-16/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-17-
InChIKeyDBBVTBVFUXKEIC-JZJYNLBNSA-N
MW391.27 g/mol
LogP3.77
Rot. Bonds7

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

2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide (PubChem CID 9059627) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
PubChem CID9059627
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-17(13-7-9-15(23-2)10-8-13)20-21-18(22)12-24-16-6-4-5-14(19)11-16/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-17-
InChIKeyDBBVTBVFUXKEIC-JZJYNLBNSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide (CID 9059627) is 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The InChIKey is DBBVTBVFUXKEIC-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-17(13-7-9-15(23-2)10-8-13)20-21-18(22)12-24-16-6-4-5-14(19)11-16/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-17-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 9059627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).