2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide

C19H21BrN2O3 — CID 3323010

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)15-7-8-18(17(20)10-15)25-12-19(23)22-21-11-14-5-4-6-16(9-14)24-3/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyHNWIVLAFEVXQRD-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.11
Rot. Bonds7

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 3323010) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID3323010
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)15-7-8-18(17(20)10-15)25-12-19(23)22-21-11-14-5-4-6-16(9-14)24-3/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyHNWIVLAFEVXQRD-UHFFFAOYSA-N
XLogP4.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.11
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-bromo-4-propan-2-ylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3322844
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588917
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19165696
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6280107
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
2-(2-bromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3995344
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide (CID 3323010) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is HNWIVLAFEVXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13(2)15-7-8-18(17(20)10-15)25-12-19(23)22-21-11-14-5-4-6-16(9-14)24-3/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 405.29 g/mol, XLogP of 4.11, 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-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3323010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).