2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide

C19H21BrN2O5 — CID 3348101

IUPAC2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O5/c1-12(27-15-8-6-5-7-14(15)20)19(23)22-21-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-12H,1-4H3,(H,22,23)
InChIKeyRXRQOPKGDCNLGS-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.39
Rot. Bonds8

About 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide (PubChem CID 3348101) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
PubChem CID3348101
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC Name2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O5/c1-12(27-15-8-6-5-7-14(15)20)19(23)22-21-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-12H,1-4H3,(H,22,23)
InChIKeyRXRQOPKGDCNLGS-UHFFFAOYSA-N
XLogP3.39
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
CID 19170531
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231
2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 4539144
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
CID 117071611
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3901967
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126270849

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide (CID 3348101) is 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide is COc1cc(OC)c(OC)cc1C=NNC(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is RXRQOPKGDCNLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-12(27-15-8-6-5-7-14(15)20)19(23)22-21-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 437.29 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 3348101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).