2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide

C15H17BrN2O2 — CID 7832141

IUPAC2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C15H17BrN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-2,6-10,12H,3-5,11H2,(H,18,19)/b17-10-/t12-/m1/s1
InChIKeyZRDDFVHCGVRGCL-HJPCULJESA-N
MW337.22 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide (PubChem CID 7832141) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide
PubChem CID7832141
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C15H17BrN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-2,6-10,12H,3-5,11H2,(H,18,19)/b17-10-/t12-/m1/s1
InChIKeyZRDDFVHCGVRGCL-HJPCULJESA-N
XLogP3.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
CID 7788343
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518160
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
CID 9359053
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
CID 8763584
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide (CID 7832141) is 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide is O=C(COc1ccc(Br)cc1)N/N=C\[C@@H]1CC=CCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide?
The InChIKey is ZRDDFVHCGVRGCL-HJPCULJESA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-2,6-10,12H,3-5,11H2,(H,18,19)/b17-10-/t12-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 7832141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).