2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide

C16H15BrN2O3 — CID 598847

IUPAC2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-21-15-8-3-2-5-12(15)10-18-19-16(20)11-22-14-7-4-6-13(17)9-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyRHGXMFUNFPGWPY-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.99
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide

2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 598847) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID598847
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-21-15-8-3-2-5-12(15)10-18-19-16(20)11-22-14-7-4-6-13(17)9-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyRHGXMFUNFPGWPY-UHFFFAOYSA-N
XLogP2.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.99
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-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 1034871
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 97034194
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide (CID 598847) is 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1C=NNC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is RHGXMFUNFPGWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-21-15-8-3-2-5-12(15)10-18-19-16(20)11-22-14-7-4-6-13(17)9-14/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 363.21 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 598847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).