2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide

C18H19BrN2O3 — CID 4531701

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
SMILESCCC(=NNC(=O)COc1ccc(OC)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-3-16(13-7-5-4-6-8-13)20-21-18(22)12-24-17-10-9-14(23-2)11-15(17)19/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyABMAFRCHXLPKHH-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.77
Rot. Bonds7

About 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide

2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide (PubChem CID 4531701) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
PubChem CID4531701
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
SMILESCCC(=NNC(=O)COc1ccc(OC)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-3-16(13-7-5-4-6-8-13)20-21-18(22)12-24-17-10-9-14(23-2)11-15(17)19/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyABMAFRCHXLPKHH-UHFFFAOYSA-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

2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135849100
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
CID 7705020

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide (CID 4531701) is 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide is CCC(=NNC(=O)COc1ccc(OC)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide?
The InChIKey is ABMAFRCHXLPKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-16(13-7-5-4-6-8-13)20-21-18(22)12-24-17-10-9-14(23-2)11-15(17)19/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide?
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)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-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide is sourced from PubChem (CID 4531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).