N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

C15H17BrN2O — CID 3096093

IUPACN-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCC(=NNC(=O)C1CC12CCC2)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-10(11-3-5-12(16)6-4-11)17-18-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,18,19)
InChIKeyGYHAHKDENJCDDA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.48
Rot. Bonds3

About N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (PubChem CID 3096093) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
PubChem CID3096093
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCC(=NNC(=O)C1CC12CCC2)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-10(11-3-5-12(16)6-4-11)17-18-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,18,19)
InChIKeyGYHAHKDENJCDDA-UHFFFAOYSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 739731
(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 6921900
(1S,6R,7S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98084880
N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 171983291
(3S)-N-[1-(4-bromophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1376548
(3R)-N-[1-(4-bromophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1376547
(1R,4S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 27290331
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
CID 6977786
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (CID 3096093) is N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is CC(=NNC(=O)C1CC12CCC2)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The InChIKey is GYHAHKDENJCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10(11-3-5-12(16)6-4-11)17-18-14(19)13-9-15(13)7-2-8-15/h3-6,13H,2,7-9H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 3096093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).