2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide

C19H21BrN2O3 — CID 3406377

IUPAC2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
SMILESCCCOc1ccccc1C=NNC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O3/c1-3-12-24-17-10-6-4-8-15(17)13-21-22-19(23)14(2)25-18-11-7-5-9-16(18)20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23)
InChIKeyJXRIMFXQZADWLM-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.16
Rot. Bonds8

About 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide (PubChem CID 3406377) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
PubChem CID3406377
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
SMILESCCCOc1ccccc1C=NNC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O3/c1-3-12-24-17-10-6-4-8-15(17)13-21-22-19(23)14(2)25-18-11-7-5-9-16(18)20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23)
InChIKeyJXRIMFXQZADWLM-UHFFFAOYSA-N
XLogP4.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.16
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

(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
2-bromo-N-[1-oxo-1-[2-[(2-propoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3888666
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-(2-bromophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4619867
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811
(2S)-2-methoxy-2-phenyl-N-[(Z)-(2-propoxyphenyl)methylideneamino]acetamide
CID 7034098
2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 4539144

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide (CID 3406377) is 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide is CCCOc1ccccc1C=NNC(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide?
The InChIKey is JXRIMFXQZADWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-12-24-17-10-6-4-8-15(17)13-21-22-19(23)14(2)25-18-11-7-5-9-16(18)20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide has a molecular weight of 405.29 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 3406377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).