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

C18H19BrN2O4 — CID 1039793

IUPAC2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cccc(Br)c2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyCURHMENZANSMNM-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.39
Rot. Bonds7

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

2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 1039793) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID1039793
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cccc(Br)c2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyCURHMENZANSMNM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 6272149
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135775219
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (CID 1039793) is 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=O)COc2cccc(Br)c2)cc1OC.
What is the InChIKey of 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is CURHMENZANSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 1039793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).