2-(4-bromophenoxy)-N-(ethylideneamino)propanamide

C11H13BrN2O2 — CID 4633825

IUPAC2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
SMILESCC=NNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-3-13-14-11(15)8(2)16-10-6-4-9(12)5-7-10/h3-8H,1-2H3,(H,14,15)
InChIKeyWZKCBPUXHUBNQQ-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide

2-(4-bromophenoxy)-N-(ethylideneamino)propanamide (PubChem CID 4633825) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
PubChem CID4633825
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
SMILESCC=NNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-3-13-14-11(15)8(2)16-10-6-4-9(12)5-7-10/h3-8H,1-2H3,(H,14,15)
InChIKeyWZKCBPUXHUBNQQ-UHFFFAOYSA-N
XLogP2.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
CID 4671273
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
(2S)-N-(anthracen-9-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 129439639
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
(2R)-N-(anthracen-9-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 129439640
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide (CID 4633825) is 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide is CC=NNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide?
The InChIKey is WZKCBPUXHUBNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-3-13-14-11(15)8(2)16-10-6-4-9(12)5-7-10/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide?
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide has a molecular weight of 285.14 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(ethylideneamino)propanamide is sourced from PubChem (CID 4633825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).