2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide

C19H21BrN2O4 — CID 19170531

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C19H21BrN2O4/c1-12-8-9-16(15(20)10-12)26-13(2)19(23)22-21-11-14-6-5-7-17(24-3)18(14)25-4/h5-11,13H,1-4H3,(H,22,23)
InChIKeyDJPGBQCOJNKLJX-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.69
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide

2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide (PubChem CID 19170531) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
PubChem CID19170531
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C19H21BrN2O4/c1-12-8-9-16(15(20)10-12)26-13(2)19(23)22-21-11-14-6-5-7-17(24-3)18(14)25-4/h5-11,13H,1-4H3,(H,22,23)
InChIKeyDJPGBQCOJNKLJX-UHFFFAOYSA-N
XLogP3.69
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.69
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

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
CID 19170550
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 2789102
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 19170462
2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190660
2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 135412132
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
CID 117071611

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide (CID 19170531) is 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide is COc1cccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)c1OC.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is DJPGBQCOJNKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-12-8-9-16(15(20)10-12)26-13(2)19(23)22-21-11-14-6-5-7-17(24-3)18(14)25-4/h5-11,13H,1-4H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 421.29 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 19170531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).